Dimethyltitanocene

CAS No. 1271-66-5

Formula: C12H16Ti
Basic Info

The Petasis reagent is an organotitanium compound with the formula Cp2Ti(CH3)2. It is an orange-colored solid.

Formula
C12H16Ti
Molecular Weight
208.122
Exact Mass
208.073
LogP
3.2106
PSA
0
Synonyms

Bis(cyclopentadienyl)dimethyltitanium

DiMethyltitanocene

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Properties
Storage Condition
Freezer (-20ºC)
Safety Info
Safety Statements
62-46-36/37
Risk Statements
R11; R38; R48/20; R63; R65; R67
HS Code
2931900090
Hazard Codes
MSDS
SDS 1.0
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SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 10, 2017

Revision Date: Aug 10, 2017

1.Identification

1.1 GHS Product identifier

Product name Dimethyltitanocene

1.2 Other means of identification

Product number -
Other names Bis(cyclopentadienyl)dimethyltitanium

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

Company MOLBASE (Shanghai) Biotechnology Co., Ltd.
Address Floor 4 & 5, Building 12, No. 1001 North Qinzhou Road,
Xuhui District, Shanghai, China
Telephone +86(21)64956998
Fax +86(21)54365166

1.5 Emergency phone number

Emergency phone number +86-400-6021-666
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

2.Hazard identification

2.1 Classification of the substance or mixture

Flammable liquids, Category 2

Aspiration hazard, Category 1

Skin irritation, Category 2

Eye irritation, Category 2

Acute toxicity - Inhalation, Category 4

Reproductive toxicity, Category 1A

Specific target organ toxicity – single exposure, Category 1

Specific target organ toxicity – repeated exposure, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H225 Highly flammable liquid and vapour

H304 May be fatal if swallowed and enters airways

H315 Causes skin irritation

H319 Causes serious eye irritation

H332 Harmful if inhaled

H360 May damage fertility or the unborn child

H370 Causes damage to organs

H372 Causes damage to organs through prolonged or repeated exposure

Precautionary statement(s)
Prevention

P210 Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.

P233 Keep container tightly closed.

P240 Ground and bond container and receiving equipment.

P241 Use explosion-proof [electrical/ventilating/lighting/...] equipment.

P242 Use non-sparking tools.

P243 Take action to prevent static discharges.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P264 Wash ... thoroughly after handling.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P271 Use only outdoors or in a well-ventilated area.

P201 Obtain special instructions before use.

P202 Do not handle until all safety precautions have been read and understood.

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

P270 Do not eat, drink or smoke when using this product.

Response

P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower].

P370+P378 In case of fire: Use ... to extinguish.

P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/…

P331 Do NOT induce vomiting.

P302+P352 IF ON SKIN: Wash with plenty of water/...

P321 Specific treatment (see ... on this label).

P332+P313 If skin irritation occurs: Get medical advice/attention.

P362+P364 Take off contaminated clothing and wash it before reuse.

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P312 Call a POISON CENTER/doctor/…if you feel unwell.

P308+P313 IF exposed or concerned: Get medical advice/ attention.

P308+P311 IF exposed or concerned: Call a POISON CENTER/doctor/...

P314 Get medical advice/attention if you feel unwell.

Storage

P403+P235 Store in a well-ventilated place. Keep cool.

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

3.Composition/information on ingredients

3.1 Substances

Chemical name Common names and synonyms CAS number EC number Concentration
Dimethyltitanocene Dimethyltitanocene 1271-66-5 none 100%

4.First-aid measures

4.1 Description of necessary first-aid measures

General advice

Consult a physician. Show this safety data sheet to the doctor in attendance.

If inhaled

If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.

In case of skin contact

Wash off with soap and plenty of water. Consult a physician.

In case of eye contact

Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.

If swallowed

Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.

4.2 Most important symptoms/effects, acute and delayed

no data available

4.3 Indication of immediate medical attention and special treatment needed, if necessary

no data available

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.

5.2 Specific hazards arising from the chemical

no data available

5.3 Special protective actions for fire-fighters

Wear self-contained breathing apparatus for firefighting if necessary.

6.Accidental release measures

6.1 Personal precautions, protective equipment and emergency procedures

Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. For personal protection see section 8.

6.2 Environmental precautions

Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided.

6.3 Methods and materials for containment and cleaning up

Pick up and arrange disposal. Sweep up and shovel. Keep in suitable, closed containers for disposal.

7.Handling and storage

7.1 Precautions for safe handling

Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Avoid exposure - obtain special instructions before use.Provide appropriate exhaust ventilation at places where dust is formed. For precautions see section 2.2.

7.2 Conditions for safe storage, including any incompatibilities

Store in cool place. Keep container tightly closed in a dry and well-ventilated place.

8.Exposure controls/personal protection

8.1 Control parameters

Occupational Exposure limit values

no data available

Biological limit values

no data available

8.2 Appropriate engineering controls

Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday.

8.3 Individual protection measures, such as personal protective equipment (PPE)

Eye/face protection

Safety glasses with side-shields conforming to EN166. Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).

Skin protection

Wear impervious clothing. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique(without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it.

Respiratory protection

Wear dust mask when handling large quantities.

Thermal hazards

no data available

9.Physical and chemical properties

Physical state no data available
Colour no data available
Odour no data available
Melting point/ freezing point -12°C(lit.)
Boiling point or initial boiling point and boiling range 199°C/10mmHg(lit.)
Flammability no data available
Lower and upper explosion limit / flammability limit no data available
Flash point 45°C(lit.)
Auto-ignition temperature no data available
Decomposition temperature no data available
pH no data available
Kinematic viscosity no data available
Solubility no data available
Partition coefficient n-octanol/water (log value) no data available
Vapour pressure no data available
Density and/or relative density no data available
Relative vapour density no data available
Particle characteristics no data available

10.Stability and reactivity

10.1 Reactivity

no data available

10.2 Chemical stability

Stable under recommended storage conditions.

10.3 Possibility of hazardous reactions

no data available

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

no data available

10.6 Hazardous decomposition products

no data available

11.Toxicological information

Acute toxicity

  • Oral: no data available
  • Inhalation: no data available
  • Dermal: no data available

Skin corrosion/irritation

no data available

Serious eye damage/irritation

no data available

Respiratory or skin sensitization

no data available

Germ cell mutagenicity

no data available

Carcinogenicity

no data available

Reproductive toxicity

no data available

STOT-single exposure

no data available

STOT-repeated exposure

no data available

Aspiration hazard

no data available

12.Ecological information

12.1 Toxicity

  • Toxicity to fish: no data available
  • Toxicity to daphnia and other aquatic invertebrates: no data available
  • Toxicity to algae: no data available
  • Toxicity to microorganisms: no data available

12.2 Persistence and degradability

no data available

12.3 Bioaccumulative potential

no data available

12.4 Mobility in soil

no data available

12.5 Other adverse effects

no data available

13.Disposal considerations

13.1 Disposal methods

Product

The material can be disposed of by removal to a licensed chemical destruction plant or by controlled incineration with flue gas scrubbing. Do not contaminate water, foodstuffs, feed or seed by storage or disposal. Do not discharge to sewer systems.

Contaminated packaging

Containers can be triply rinsed (or equivalent) and offered for recycling or reconditioning. Alternatively, the packaging can be punctured to make it unusable for other purposes and then be disposed of in a sanitary landfill. Controlled incineration with flue gas scrubbing is possible for combustible packaging materials.

14.Transport information

14.1 UN Number

ADR/RID: UN1993 IMDG: UN1993 IATA: UN1993

14.2 UN Proper Shipping Name

ADR/RID: FLAMMABLE LIQUID, N.O.S.
IMDG: FLAMMABLE LIQUID, N.O.S.
IATA: FLAMMABLE LIQUID, N.O.S.

14.3 Transport hazard class(es)

ADR/RID: 3 IMDG: 3 IATA: 3

14.4 Packing group, if applicable

ADR/RID: II IMDG: II IATA: II

14.5 Environmental hazards

ADR/RID: no IMDG: no IATA: no

14.6 Special precautions for user

no data available

14.7 Transport in bulk according to Annex II of MARPOL 73/78 and the IBC Code

no data available

15.Regulatory information

15.1 Safety, health and environmental regulations specific for the product in question

Chemical name Common names and synonyms CAS number EC number
Dimethyltitanocene Dimethyltitanocene 1271-66-5 none
European Inventory of Existing Commercial Chemical Substances (EINECS) Not Listed.
EC Inventory Not Listed.
United States Toxic Substances Control Act (TSCA) Inventory Not Listed.
China Catalog of Hazardous chemicals 2015 Not Listed.
New Zealand Inventory of Chemicals (NZIoC) Not Listed.
Philippines Inventory of Chemicals and Chemical Substances (PICCS) Not Listed.
Vietnam National Chemical Inventory Not Listed.
Chinese Chemical Inventory of Existing Chemical Substances (China IECSC) Not Listed.

16.Other information

Information on revision

Creation Date Aug 10, 2017
Revision Date Aug 10, 2017

Abbreviations and acronyms

  • CAS: Chemical Abstracts Service
  • ADR: European Agreement concerning the International Carriage of Dangerous Goods by Road
  • RID: Regulation concerning the International Carriage of Dangerous Goods by Rail
  • IMDG: International Maritime Dangerous Goods
  • IATA: International Air Transportation Association
  • TWA: Time Weighted Average
  • STEL: Short term exposure limit
  • LC50: Lethal Concentration 50%
  • LD50: Lethal Dose 50%
  • EC50: Effective Concentration 50%

References

  • IPCS - The International Chemical Safety Cards (ICSC), website: http://www.ilo.org/dyn/icsc/showcard.home
  • HSDB - Hazardous Substances Data Bank, website: https://toxnet.nlm.nih.gov/newtoxnet/hsdb.htm
  • IARC - International Agency for Research on Cancer, website: http://www.iarc.fr/
  • eChemPortal - The Global Portal to Information on Chemical Substances by OECD, website: http://www.echemportal.org/echemportal/index?pageID=0&request_locale=en
  • CAMEO Chemicals, website: http://cameochemicals.noaa.gov/search/simple
  • ChemIDplus, website: http://chem.sis.nlm.nih.gov/chemidplus/chemidlite.jsp
  • ERG - Emergency Response Guidebook by U.S. Department of Transportation, website: http://www.phmsa.dot.gov/hazmat/library/erg
  • Germany GESTIS-database on hazard substance, website: http://www.dguv.de/ifa/gestis/gestis-stoffdatenbank/index-2.jsp
  • ECHA - European Chemicals Agency, website: https://echa.europa.eu/

Disclaimer: The above information is believed to be correct but does not purport to be all inclusive and shall be used only as a guide. The information in this document is based on the present state of our knowledge and is applicable to the product with regard to appropriate safety precautions. It does not represent any guarantee of the properties of the product. We as supplier shall not be held liable for any damage resulting from handling or from contact with the above product.
MSDS
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Section I.Chemical Product and Company Identification
    Chemical Name        Dimethyltitanocene    
    (5% in Tetrahydrofuran/Toluene)
    Portland OR
    Titanium, bis(n5-2,4-cyclopentadien-1-yl)dimethyl-
    Synonym
    (CA INDEX NAME);
    Bis(cyclopentadienyl)dimethyltitanium;
    Petasis Reagent
    Chemical Formula        C12H16Ti    
    1271-66-5
    CAS Number
    108-88-3 (Toluene)
    109-99-9 (Tetrahydrofuran)

Section II.        Composition and Information on Ingredients    
    Toxicology Data
    Chemical Name        CAS Number Percent (%)        TLV/PEL    
    This chemical is classified as a        (Toluene)    
    Dimethyltitanocene        1271-66-5        5%    
    (5% in Tetrahydrofuran/Toluene)
    108-88-3        18.5% THF        carcinogen. There is no        Rat LD50 (oral) 636 mg/kg    
    (Toluene)        76.5%        acceptable exposure limit for a        Rabbit LD50 (dermal) 14100 ul/kg    
    Rat LD50 (inhalation) 49 gm/m3/4H
    109-99-9        Toluene        carcinogen.    
    (Tetrahydrofuran)
    (Tetrahydrofuran)
    Rat LD50 (oral) 1650 mg/kg
    Rat LD50 (intraperitoneal) 2900
    mg/kg
    Mouse LD50 (intraperitoneal) 1950
    mg/kg

Section III. Hazards Identification
    Harmful if ingested or inhaled. Minimize exposure to this material. Severe overexposure can result in injury or death.
    Acute Health Effects
    Irritating to eyes and skin on contact. Inhalation causes irritation of the lungs and respiratory system. Inflammation of the
    eye is characterized by redness, watering, and itching. Skin inflammation is characterized by itching, scaling, reddening, or,
    occasionally, blistering.
    Aspiration hazard; may be fatal if swallowed and enters airways.
    Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound.
    CARCINOGENIC EFFECTS : Carcinogenic by RTECS criteria
    Chronic Health Effects
    MUTAGENIC EFFECTS : Not available.
    TERATOGENIC EFFECTS : Tumorigenic Effects
    (Tetrahydrofuran)
    Mouse TCLo (Inhalation) 113400 mg/kg/105 weeks
    Toxic Effects:
    Tumorigenic Effects:
    Tumorigenic - Carcinogenic by RTECS criteria
    Liver - Tumors
    Mouse TCLo (Inhalation) 1800 ppm/6 hours/2 years intermittent
    Toxic Effects:
    Tumorigenic - Carcinogenic by RTECS criteria
    Liver - Tumors
    DEVELOPMENTAL TOXICITY: Reproductive Effects
    (Toluene)
    Rat TCLo (Inhalation) 800 mg/m3/6 hours; female 14-20 days of pregnancy
    Toxic Effects:
    Effects on Embryo of Fetus - Fetotoxicity
    Effects on Newborn - Behavioral
    Mouse TCLo (Inhalation) 400 ppm/7 hours; female 7-16 days of pregnancy
    Toxic Effects:
    Specific Developmental Abnormalities - Musculoskeletal system
    Effects on Newborn - Biochemical and metabolic
    Mouse TDLo (Oral) 9 gm/kg; female 6-15 days of pregnancy
    Continued on Next Page
    Dimethyltitanocene
    (5% in Tetrahydrofuran/Toluene)
    Toxic Effects:
    Effects on Embryo of Fetus - Fetal death
    (Tetrahydrofuran)
    Rat TCLo (Inhalation) 5000 ppm/6 hours; female 6-19 days of pregnancy
    Toxic Effects:
    Effects on Embryo of Fetus - Fetotoxicity
    Rat TDLo (Oral) 1.125 mg/kg; female multigeneration
    Toxic Effects:
    Effects on Newborn - Behavioral
    Effects on Newborn - Physical
    Effects on Newborn - Delayed effects
    Mouse TDLo (Oral) 2592 mg/kg; female 6-17 days of pregnancy
    Toxic Effects:
    Effects on Fertility- Litter size
    Effects on Embryo of Fetus - Fetotoxicity
    Repeated or prolonged exposure to this compound is not known to aggravate existing medical conditions.

Section IV.        First Aid Measures    
    Check for and remove any contact lenses. In case of contact, immediately flush eyes with plenty of water for at least 15
    Eye Contact
    minutes. Get medical attention.
    In case of contact, immediately flush skin with plenty of water. Remove contaminated clothing and shoes. Wash clothing
    Skin Contact
    before reuse. Thoroughly clean shoes before reuse. Get medical attention.
    If the victim is not breathing, perform mouth-to-mouth resuscitation. Loosen tight clothing such as a collar, tie, belt or
    Inhalation
    waistband. If breathing is difficult, oxygen can be administered. Seek medical attention if respiration problems do not
    improve.
    Ingestion        DO NOT INDUCE VOMITING. Loosen tight clothing such as a collar, tie, belt or waistband. If the victim is not breathing,    
    perform mouth-to-mouth resuscitation. Examine the lips and mouth to ascertain whether the tissues are damaged, a possible
    indication that the toxic material was ingested; the absence of such signs, however, is not conclusive.

Section V.        Fire and Explosion Data    
    535°C (995°F) (Toluene)
    Flammable.        Auto-Ignition    
    Flammability
    321°C (609.8°F) (Tetrahydrofuran)
    Flash Points        Flammable Limits        LOWER: 1.2% UPPER: 7% (Toluene)    
    4°C (39.2°F). (Toluene)
    LOWER: 1.8% UPPER: 11.8%
    -17°C (1.4°F). (Tetrahydrofuran)
    (Tetrahydrofuran)
    Combustion Products        These products are toxic carbon oxides (CO, CO2), metallic oxides.    
    Fire Hazards
    Not available.
    Risks of explosion of the product in presence of mechanical impact: Not available.
    Explosion Hazards
    Risks of explosion of the product in presence of static discharge: Not available.
    Fire Fighting Media
    Flammable liquid.
    SMALL FIRE: Use DRY chemical powder.
    and Instructions
    LARGE FIRE: Use alcohol foam, water spray or fog. Cool containing vessels with water jet in order to prevent pressure
    build-up, autoignition or explosion. Consult with local fire authorities before attempting large scale fire-fighting operations.

Section VI.        Accidental Release Measures    
    Spill Cleanup        Flammable material. Carcinogenic material. Harmful material. Irritating material. Fatal aspiration hazard. Environmentally    
    hazardous material. Moisture sensitive material. Heat sensitive material.
    Instructions
    Keep away from heat. Mechanical exhaust required. Stop leak if without risk. Absorb with DRY earth, sand or other
    non-combustible material. DO NOT touch spilled material. Prevent entry into sewers, basements or confined areas; dike if
    needed. Consult federal, state, and/or local authorities for assistance on disposal.

Section VII. Handling and Storage
    FLAMMABLE. CARCINOGENIC. HARMFUL. IRRITANT. FATAL ASPIRATION HAZARD. ENVIRONMENTAL HAZARD.
    Handling and Storage
    MOISTURE SENSITIVE. HEAT SENSITIVE. STORE UNDER ARGON. FREEZE. Keep away from heat. Mechanical
    Information
    exhaust required. Avoid excessive heat and light. Do not breathe gas/fumes/ vapor/spray.
    Always store away from incompatible compounds such as oxidizing agents, alkalis (bases).

Section VIII. Exposure Controls/Personal Protection
    Provide exhaust ventilation or other engineering controls to keep the airborne concentrations of vapors below their respective
    Engineering Controls
    threshold limit value. Ensure that eyewash station and safety shower is proximal to the work-station location.
    Splash goggles. Lab coat. Vapor respirator. Boots. Gloves. Suggested protective clothing might not be sufficient; consult a
    Personal Protection
    specialist BEFORE handling this product. Be sure to use a MSHA/NIOSH approved respirator or equivalent.
    Exposure Limits        This chemical is classified as a carcinogen. There is no acceptable exposure limit for a carcinogen.    
    Continued on Next Page
    Dimethyltitanocene
    (5% in Tetrahydrofuran/Toluene)

Section IX.        Physical and Chemical Properties    
    Physical state @ 20°C        Liquid. (Clear. Yellow red - deep red.)        Solubility        (Toluene)    
    Very slightly soluble in water;
    0.865 (Toluene)        Miscible with alcohol, chloroform, ehter,    
    Specific Gravity
    0.889 (Tetrahydrofuran)        acetone, glacial acetic acid, carbon    
    disulfide.
    Molecular Weight        208.13        Partition Coefficient        LOG Kow: 2.73 (Toluene)    
    92.14 (Toluene)        LOG Kow: 0.46 @ 20°C (Tetrahydrofuran)    
    72.11 (Tetrahydrofuran)
    Boiling Point        110.6°C (231.1°F) (Toluene)        28.4 mmHg (@ 25°C) (Toluene)    
    Vapor Pressure
    65 to 67°C (149 to 152.6°F)        143 mmHg (@ 20°C) (Tetrahydrofuran)    
    @ 760 mmHg (Tetrahydrofuran)
    -93°C (-135.4°F) (Toluene)        3.1 (Air = 1) (Toluene)    
    Melting Point        Vapor Density    
    -108°C (-162.4°F) (Tetrahydrofuran)        2.5 g/L (Tetrahydrofuran)    
    1.496 - 1.498 (Toluene)        Volatility        Not available.    
    Refractive Index
    1.407 (Tetrahydrofuran)
    Not available.
    Critical Temperature        Not available.        Odor    
    Viscosity        0.778 cP @ 0°C (Toluene)        Taste        Not available.    

Section X.        Stability and Reactivity Data    
    Stability    
This material is stable if stored under proper conditions. (See Section VII for instructions)    
    Conditions of Instability        Avoid excessive heat and light.    
    Incompatibilities
    Reactive with oxidizing agents, alkalis (bases).
    (Tetrahydrofuran)
    Reactive with oxygen.

Section XI. Toxicological Information
    RTECS Number        XS5250000 (Toluene)    
    LH5950000 (Tetrahydrofuran)
    Eye Contact. Ingestion. Inhalation.
    Routes of Exposure
    (Toluene)
    Toxicity Data
    Rat LD50 (oral) 636 mg/kg
    Rabbit LD50 (dermal) 14100 ul/kg
    Rat LD50 (inhalation) 49 gm/m3/4H
    (Tetrahydrofuran)
    Rat LD50 (oral) 1650 mg/kg
    Rat LD50 (intraperitoneal) 2900 mg/kg
    Mouse LD50 (intraperitoneal) 1950 mg/kg
    Chronic Toxic Effects        CARCINOGENIC EFFECTS : Carcinogenic by RTECS criteria    
    MUTAGENIC EFFECTS : Not available.
    TERATOGENIC EFFECTS : Tumorigenic Effects
    (Tetrahydrofuran)
    Mouse TCLo (Inhalation) 113400 mg/kg/105 weeks
    Toxic Effects:
    Tumorigenic Effects:
    Tumorigenic - Carcinogenic by RTECS criteria
    Liver - Tumors
    Mouse TCLo (Inhalation) 1800 ppm/6 hours/2 years intermittent
    Toxic Effects:
    Tumorigenic - Carcinogenic by RTECS criteria
    Liver - Tumors
    DEVELOPMENTAL TOXICITY: Reproductive Effects
    (Toluene)
    Rat TCLo (Inhalation) 800 mg/m3/6 hours; female 14-20 days of pregnancy
    Toxic Effects:
    Effects on Embryo of Fetus - Fetotoxicity
    Effects on Newborn - Behavioral
    Mouse TCLo (Inhalation) 400 ppm/7 hours; female 7-16 days of pregnancy
    Toxic Effects:
    Specific Developmental Abnormalities - Musculoskeletal system
    Effects on Newborn - Biochemical and metabolic
    Mouse TDLo (Oral) 9 gm/kg; female 6-15 days of pregnancy
    Toxic Effects:
    Effects on Embryo of Fetus - Fetal death
    (Tetrahydrofuran)
    Rat TCLo (Inhalation) 5000 ppm/6 hours; female 6-19 days of pregnancy
    Toxic Effects:
    Effects on Embryo of Fetus - Fetotoxicity
    Rat TDLo (Oral) 1.125 mg/kg; female multigeneration
    Toxic Effects:
    Effects on Newborn - Behavioral
    Effects on Newborn - Physical
    Effects on Newborn - Delayed effects
    Mouse TDLo (Oral) 2592 mg/kg; female 6-17 days of pregnancy
    Toxic Effects:
    Effects on Fertility- Litter size
    Continued on Next Page
    Dimethyltitanocene
    (5% in Tetrahydrofuran/Toluene)
    Effects on Embryo of Fetus - Fetotoxicity
    Repeated or prolonged exposure to this compound is not known to aggravate existing medical conditions.
    Acute Toxic Effects        Harmful if ingested or inhaled. Minimize exposure to this material. Severe overexposure can result in injury or death.    
    Irritating to eyes and skin on contact. Inhalation causes irritation of the lungs and respiratory system. Inflammation of the eye
    is characterized by redness, watering, and itching. Skin inflammation is characterized by itching, scaling, reddening, or,
    occasionally, blistering.
    Aspiration hazard; may be fatal if swallowed and enters airways.
    Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound.

Section XII.        Ecological Information    
    Not available.
    Ecotoxicity
    (Toluene)
    Environmental Fate
    Toluene is released into the atmosphere principally from the volatilization of petroleum fuels and toluene-based solvents and
    thinners and from motor vehicle exhaust. Toluene's production and use as an intermediate in the production of benzoic acid,
    benzaldehyde, benzene, explosives, dyes and many other organic compounds may also result in its release to the
    environment through various waste streams. Toluene has been detected in emissions from volcanos, forest fires and crude
    oil. If released to air, a vapor pressure of 28.4 mm Hg at 25 deg C indicates toluene will exist solely as a vapor in the ambient
    atmosphere. Vapor-phase toluene will be degraded in the atmosphere by reaction with photochemically-produced hydroxyl
    radicals; the half-life for this reaction in air is estimated to be 3 days. Toluene may also be degraded in the atmosphere by
    reaction with nitrate radicals and ozone molecules, but these reactions are too slow to be environmentally important. If
    released to soil, toluene is expected to have high to moderate mobility based upon Koc values in the range of 37-178.
    Volatilization from moist soil surfaces is expected to be an important fate process based upon a Henry's Law constant of
    6.64X10-3 atm-cu m/mole. Toluene may volatilize from dry soil surfaces based upon its vapor pressure. Biodegradation is
    expected to occur rapidly in soil surfaces, with half-lives in the range of several hours to 71 days. If released into water,
    toluene is not expected to adsorb to suspended solids and sediment based upon a Koc of 166 measured in lake sediment.
    Biodegradation is expected to occur rapidly in water, with reported half-lives of 4 and 56 days in aerobic and anaerobic water,
    respectively. Volatilization from water surfaces is expected to be an important fate process based upon this compound's
    Henry's Law constant. Estimated volatilization half-lives for a model river and model lake are 1 hour and 4 days, respectively.
    Measured BCF values of 13 and 90 in fish suggest bioconcentration in aquatic organisms is low to moderate. Hydrolysis is
    not expected to be an important environmental fate process for toluene due to lack of hydrolyzable functional groups.
    Exposure to toluene may occur occupationally during its production or subsequent use, particularly as a solvent or in gasoline,
    via dermal and respiratory routes. The main route of exposure for the general population will be through inhalation from
    contaminated air and handling of gasoline as well as ingestion of contaminated drinking water and food, and exposure to
    some consumer products.
    (Tetrahydrofuran)
    Tetrahydrofuran's production and use as a solvent for natural and synthetic resins (e.g., vinyls), in top-coating solutions, and
    in organic synthesis may result in its release to the environment through various waste streams. If released to air, a vapor
    pressure of 162 mm Hg at 25 deg C indicates tetrahydrofuran will exist solely as a vapor in the atmosphere. Vapor-phase
    tetrahydrofuran will be degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals and nitrate
    ions; the half-lives for these reactions in air are 21-24 hours and 3 days, respectively. If released to soil, tetrahydrofuran is
    expected to have very high mobility based upon Koc values of 18 and 23. Volatilization from moist soil surfaces is expected to
    be an important fate process based upon a Henry's Law constant of 7.05X10-5 atm-cu m/mole. Tetrahydrofuran may volatilize
    from dry soil surfaces based upon its vapor pressure. Utilizing the Japanese MITI test, 100% of the theoretical BOD was
    reached in 2 weeks indicating that biodegradation is an important environmental fate process. However, the EEC manometric
    respirometric method, tested in 22 different laboratories, gave a mean of 34% of the theoretical BOD within 28 days. If
    released into water, tetrahydrofuran is not expected to adsorb to suspended solids and sediment based upon the Koc values.
    Volatilization from water surfaces is expected to be an important fate process based upon this compound's Henry's Law
    constant. Estimated volatilization half-lives for a model river and model lake are 13 hours and 6.6 days, respectively. An
    estimated BCF of 3 suggests the potential for bioconcentration in aquatic organisms is low. Hydrolysis is not expected to be
    an important environmental fate process since tetrahydrofuran lacks functional groups that hydrolyze under environmental
    conditions. Occupational exposure to tetrahydrofuran may occur through inhalation and dermal contact with this compound at
    workplaces where tetrahydrofuran is produced or used. Monitoring data indicate that the general population may be exposed
    to tetrahydrofuran via inhalation of ambient air, ingestion of food and drinking water, and dermal contact with products
    containing tetrahydrofuran.

Section XIII. Disposal Considerations
    Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material with a
    Waste Disposal
    combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all
    federal, state and local regulations when disposing of the substance.

Section XIV. Transport Information
    DOT Classification        DOT CLASS 3: Flammable liquid    
    PIN Number
    Proper Shipping Name        Flammable liquid, n.o.s.    
    Packing Group (PG)        II    
    DOT Pictograms
    Continued on Next Page
    Dimethyltitanocene
    (5% in Tetrahydrofuran/Toluene)

Section XV. Other Regulatory Information and Pictograms
    TSCA Chemical Inventory        This product is NOT on the EPA Toxic Substances Control Act (TSCA) inventory. The following notices are required by 40    
    CFR 720.36 (C) for those products not on the inventory list:
    (EPA)
    (i) These products are supplied solely for use in research and development by or under the supervision of a technically
    qualified individual as defined in 40 CFR 720.0 et sec.
    (ii) The health risks of these products have not been fully determined. Any information that is or becomes available will be
    supplied on an MSDS sheet.
    WHMIS Classification        CLASS B-2: Flammable liquid with a flash point lower than 37.8°C (100°F).    
    (Canada)
    EINECS Number (EEC)        203-625-9 (Toluene)    
    203-726-8 (Tetrahydrofuran)
    EEC Risk Statements        R45- May cause cancer.    
    R20/21/22- Harmful by inhalation, in contact with skin and if swallowed.
    R36/37/38- Irritating to eyes, respiratory system and skin.
    R52- Harmful to aquatic organisms.
    R53- May cause long-term adverse effects in the aquatic environment.
    Japanese Regulatory Data        ENCS no.:    
    (Toluene)
    3-2
    (Tetrahydrofuran)
    5.53;


SECTION 16 - ADDITIONAL INFORMATION
N/A
Spectrum
NMR Spectrum 1H NMR : Predict
expand collapse
Mass Spectrum Mass spectrum (electron ionization)
expand collapse
ESR Spectrum ESR : PHOTOLYSIS IN TOLUENE
expand collapse
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