16002-63-4 structure, C6H5IMg

Phenylmagnesium Iodide&nbsp

CAS No.

16002-63-4

Formula:

C6H5IMg

Basic Info

Formula
C6H5IMg
Molecular Weight
228.313
Exact Mass
227.929
LogP
2.3725
PSA
0
Synonyms

Phenyl lithium

Lithiobenzene

LITHIUMPHENYL

phenyllithium solution

phenylllithium

phenyllithium,1.5-1.7m in cyclohexane/ether

PHENYLLITHIUM DIBUTYL

PHLI

phenyllitihium

phenyl-lithiu

PHENYLLITHIUM SOLUTION IN DIBUTYLETHER

phenylmagnesium iodide

solutioninDibutylether

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Safety Info

HS Code
2931900090

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 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name Phenylmagnesium Iodide&nbsp

1.2 Other means of identification

Product number -
Other names phenyl-lithiu

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

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

3.Composition/information on ingredients

3.1 Substances

Chemical name Common names and synonyms CAS number EC number Concentration
Phenylmagnesium Iodide&nbsp Phenylmagnesium Iodide&nbsp 16002-63-4 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 no data available
Boiling point or initial boiling point and boiling range no data available
Flammability no data available
Lower and upper explosion limit / flammability limit no data available
Flash point no data available
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: no data available IMDG: no data available IATA: no data available

14.2 UN Proper Shipping Name

ADR/RID: no data available
IMDG: no data available
IATA: no data available

14.3 Transport hazard class(es)

ADR/RID: no data available IMDG: no data available IATA: no data available

14.4 Packing group, if applicable

ADR/RID: no data available IMDG: no data available IATA: no data available

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
Phenylmagnesium Iodide&nbsp Phenylmagnesium Iodide&nbsp 16002-63-4 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 16, 2017
Revision Date Aug 16, 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        Phenylmagnesium Iodide    
    (42% in Ethyl Ether, ca. 2mol/L)
    Portland OR
    Synonym        Magnesium, Iodophenyl- (9 CI)    
    Chemical Formula        C6H5MgI    
    CAS Number        16002-63-4    
    60-29-7 (Ethyl Ether)

Section II.        Composition and Information on Ingredients    
    CAS Number Percent (%)        TLV/PEL        Toxicology Data    
    Chemical Name
    Phenylmagnesium Iodide        42.0 Not available.        Ethyl Ether:    
    16002-63-4
    (42% in Ethyl Ether, ca. 2mol/L)
    60-29-7 (Ethyl        58.0        Rat LD50 (oral) 1215mg/kg    
    Rabbit LD50 (dermal) >20ml/kg
    Ether)
    Mouse LC50 (inhalation)
    31000ppm/30M

Section III. Hazards Identification
    Acute Health Effects        Corrosive to skin, eyes, and respiratory system. Liquid or spray mist may produce tissue damage, particularly in mucous    
    membranes of the eyes, mouth and respiratory tract. Skin contact may produce burns. Eye contact can result in corneal
    damage or blindness. Inhalation of the spray mist may produce severe irritation of respiratory tract, characterized by
    coughing, choking, or shortness of breath. Corrosive materials may cause serious injury if ingested.
    Harmful if ingested or inhaled. Minimize exposure to this material. Severe overexposure can result in injury or death.
    Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound.
    Chronic Health Effects        CARCINOGENIC EFFECTS : Not available.    
    MUTAGENIC EFFECTS : Not available.
    TERATOGENIC EFFECTS : Not available.
    DEVELOPMENTAL TOXICITY: Not available.
    Repeated or prolonged contact with spray mist may produce chronic eye irritation and severe skin irritation. Repeated or
    prolonged exposure to spray mist may produce respiratory tract irritation leading to frequent attacks of bronchial
    infection.

Section IV.        First Aid Measures    
    Eye Contact        Check for and remove any contact lenses. In case of contact, immediately flush eyes with plenty of water for at least 15    
    minutes. Get medical attention.
    Skin Contact        In case of contact, immediately flush skin with plenty of water. Remove contaminated clothing and shoes. Wash clothing    
    before reuse. Thoroughly clean shoes before reuse. Get medical attention.
    Inhalation        If the victim is not breathing, perform mouth-to-mouth resuscitation. Loosen tight clothing such as a collar, tie, belt or    
    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.
    Continued on Next Page
    Phenylmagnesium Iodide
    (42% in Ethyl Ether, ca. 2mol/L)

Section V.        Fire and Explosion Data    
    Auto-Ignition        160°C (320°F) (Ethyl Ether)    
    Flammability        Flammable.    
    Flash Points        Flammable Limits        Not available.    
    -40°C (-40°F) (Ethyl Ether).
    Combustion Products        These products are toxic carbon oxides (CO, CO 2). Some 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.
    Consult with local fire authorities before attempting large scale fire-fighting operations.

Section VI.        Accidental Release Measures    
    Spill Cleanup        Water-reactive material. Flammable material. Corrosive material. Harmful material. May form explosive peroxides. Air,    
    heat, and light sensitive material. Do not distill to dryness. Refrigerate 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 get water inside container. DO NOT touch spilled material. Use water spray curtain
    to divert vapor drift. 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
    Handling and Storage        WATER-REACTIVE. FLAMMABLE. CORROSIVE. HARMFUL. MAY FORM EXPLOSIVE PEROXIDES. AIR, HEAT,    
    AND LIGHT SENSITIVE. DO NOT DISTILL TO DRYNESS. REFRIGERATE. Keep under inert atmosphere. Keep
    Information
    container dry. Do not breathe gas/fumes/ vapor/spray. Never add water to this product. Wear suitable protective
    clothing. If you feel unwell, seek medical attention and show the label when possible. Treat symptomatically and
    supportively.
    Always store away from incompatible compounds such as oxidizing agents, acids.

Section VIII. Exposure Controls/Personal Protection
    Engineering Controls        Provide exhaust ventilation or other engineering controls to keep the airborne concentrations of vapors below their    
    respective threshold limit value. Ensure that eyewash station and safety shower is proximal to the work-station location.
    Personal Protection        Face shield. Lab coat. Vapor respirator. Boots. Gloves. Suggested protective clothing might not be sufficient; consult a    
    specialist BEFORE handling this product. Be sure to use a MSHA/NIOSH approved respirator or equivalent.
    Exposure Limits        Not available.    

Section IX. Physical and Chemical Properties
    Physical state @ 20°C        Liquid.        Solubility    
    Ethyl Ether:
    Miscible with lower aliphatic alcohols,
    Specific Gravity        Not available.        benzene, chloroform, petroleum ether, fat    
    solvents, many oils, most organic
    solvents.
    Soluble in concentrated hydrochloric acid,
    acetone, solvent naphtha.
    Very soluble in ethanol, ethyl ether.
    In water, 6.04X10+4mg/L @ 25°C.
    Molecular Weight        228.31        Partition Coefficient        Not available.    
    Boiling Point        34.6°C (94.3°F) (Ethyl Ether)        Vapor Pressure        59 kPa (@ 20°C) (Ethyl Ether)    
    Melting Point        -116°C (-176.8°F) (Ethyl Ether)        Vapor Density        2.6 (Air = 1) (Ethyl Ether)    
    1.3526 @ 20°C (Ethyl Ether)        Volatility        Not available.    
    Refractive Index
    Critical Temperature        Odor        Ether-like.    
    Not available.
    Dynamic: 0.2448 cP (Ethyl Ether)        Burning and sweet.    
    Viscosity        Taste    
    Continued on Next Page
    Phenylmagnesium Iodide
    (42% in Ethyl Ether, ca. 2mol/L)

Section X.        Stability and Reactivity Data    
    Stability    
This material is stable if stored under proper conditions. (See Section VII for instructions)    
    Conditions of Instability        Heat and light accelerate peroxide formation. Avoid excessive heat and light.    
    Incompatibilities
    Reactive with oxidizing agents, strong acids.
    The product REACTS violently with water to emit FLAMMABLE BUT NON TOXIC GASES.

Section XI. Toxicological Information
    RTECS Number        KI5775000 (Ethyl Ether)    
    Eye Contact. Ingestion. Inhalation. Skin contact.
    Routes of Exposure
    Toxicity Data        Ethyl Ether:    
    Rat LD50 (oral) 1215mg/kg
    Rabbit LD50 (dermal) >20ml/kg
    Mouse LC50 (inhalation) 31000ppm/30M
    CARCINOGENIC EFFECTS : Not available.
    Chronic Toxic Effects
    MUTAGENIC EFFECTS : Not available.
    TERATOGENIC EFFECTS : Not available.
    DEVELOPMENTAL TOXICITY: Not available.
    Repeated or prolonged contact with spray mist may produce chronic eye irritation and severe skin irritation. Repeated or
    prolonged exposure to spray mist may produce respiratory tract irritation leading to frequent attacks of bronchial infection.
    Acute Toxic Effects        Corrosive to skin, eyes, and respiratory system. Liquid or spray mist may produce tissue damage, particularly in mucous    
    membranes of the eyes, mouth and respiratory tract. Skin contact may produce burns. Eye contact can result in corneal
    damage or blindness. Inhalation of the spray mist may produce severe irritation of respiratory tract, characterized by
    coughing, choking, or shortness of breath. Corrosive materials may cause serious injury if ingested.
    Harmful if ingested or inhaled. Minimize exposure to this material. Severe overexposure can result in injury or death.
    Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound.

Section XII.        Ecological Information    
    Ecotoxicity        Not available.    
    Environmental Fate        Ethyl Ether:    
    Diethyl ether's production and use as a solvent, in the manufacture of gun powder, and as a primer for gasoline engines
    may result in its release to the environment through various waste streams. If released
    to air, a vapor pressure of 538 mm Hg at 25 deg C indicates diethyl ether will exist solely as a vapor in the ambient
    atmosphere. Vapor-phase diethyl ether will be degraded in the atmosphere by reaction with photochemically-produced
    hydroxyl radicals and nitrate radicals; half-lives for these reactions in air are estimated to be 1.2 and 5.8 days,
    respectively. Direct photolysis is not expected to be an important removal process since aliphatic ethers do not absorb
    light in the environmental spectrum. If released to soil, diethyl ether is expected to have high mobility based upon an
    estimated Koc of 73. Volatilization from moist soil surfaces is expected to be an important fate process based upon a
    Henry's Law constant of 1.23X10-3 atm-cu m/mole. Diethyl ether is expected to volatilize from dry soil surfaces based
    upon its vapor pressure. Aqueous screening studies indicate biodegradation is expected to be a slow fate process in both
    soil and water; 0 to 1.1% BODT was observed over a period of 5 days. If released into water, diethyl ether is not
    expected to adsorb to suspended solids and sediment in water based upon the estimated Koc. 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 from a model river and model lake are 3.1 hours and 3.6 days, respectively. BCFs ranging from 0.9
    to 9.1 in carp suggest bioconcentration in aquatic organisms is low. Hydrolysis is not expected to occur due to the lack of
    hydrolyzable functional groups. Occupational exposure to diethyl ether may occur through inhalation and dermal contact
    with this compound at workplaces where diethyl ether is produced or used. The general population may be exposed to
    diethyl ether from consumer products, inhalation of ambient air, and ingestion of contaminated drinking water. (HSDB)

Section XIII. Disposal Considerations
    Waste Disposal        Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material with a    
    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        CLASS 4.3: Dangerous when wet material.    
    CLASS 3: Flammable liquid.
    PIN Number
    Proper Shipping Name
    Organometallic substance, liquid, water-reactive, flammable
    Packing Group (PG)        I    
    DOT Pictograms
    DANGEROUS        WHEN    
    WET
    4
    Continued on Next Page
    Phenylmagnesium Iodide
    (42% in Ethyl Ether, ca. 2mol/L)

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).    
    CLASS E: Corrosive liquid.
    (Canada)
    EINECS Number (EEC) 200-467-2 (Ethyl Ether)
    EEC Risk Statements
    R12- Extremely flammable.
    R14- Reacts violently with water.
    R19- May form explosive peroxides.
    R20/21/22- Harmful by inhalation, in contact with skin and if swallowed.
    R34- Causes burns.


SECTION 16 - ADDITIONAL INFORMATION
N/A

Spectrum

NMR Spectrum 1H NMR : Predict
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