98-07-7 structure, C7H5Cl3

Benzotrichloride

CAS No.

98-07-7

Formula:

C7H5Cl3

Basic Info

Benzotrichloride, also known as trichlorotoluene is an organic compound with the formula C6H5CCl3. It is principally used as an intermediate in the preparation of other chemical products such as dyes.
It is classified as an extremely hazardous substance in the United States as defined in Section 302 of the U.S. Emergency Planning and Community Right-to-Know Act (42 U.S.C. 11002), and is subject to strict reporting requirements by facilities which produce, store, or use it in significant quantities.

Formula
C7H5Cl3
Molecular Weight
195.474
Exact Mass
193.946
LogP
3.5133
PSA
0
Synonyms

Benzene, (trichloromethyl)-

Toluene trichloride

Phenyl chloroform

PhCCl3

alpha,alpha,alpha-Trichlorotoluene

α,α,α-Trichlorotoluene

(Trichloromethyl)benzene

Trichlorotoluene

expand collapse

Properties

Appearance & Physical State
colourless liquid
Density
1.3723
Boiling Point
219-223ºC
Melting Point
-7.5ºC
Flash Point
97ºC
Refractive Index
1.557-1.559
Water Solubility
HYDROLYSIS
Stability
Stable, but moisture sensitive. Incompatible with strong oxidizing agents, moisture.
Vapor Density
6.77 (vs air)
Vapor Pressure
0.2 mm Hg ( 20 °C)

Safety Info

RTECS
XT9275000
Safety Statements
S45-S53
WGK Germany
3
Risk Statements
R22; R23; R37/38; R41; R45
HS Code
2903999090
RIDADR
UN 2226
Hazard Class
8
Packing Group
II
Hazard Codes

MSDS

SDS 1.0
expand collapse
Download/Modify | Technical supported by XiXisys.com. For US version, EU version (23 languages) and more, please refer to xixisys.com/en/sds/search

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name α,α,α-Trichlorotoluene

1.2 Other means of identification

Product number -
Other names Benzene, (trichloromethyl)-

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

Acute toxicity - Oral, Category 4

Skin irritation, Category 2

Serious eye damage, Category 1

Acute toxicity - Inhalation, Category 3

Specific target organ toxicity – single exposure, Category 3

Carcinogenicity, Category 1B

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H302 Harmful if swallowed

H315 Causes skin irritation

H318 Causes serious eye damage

H331 Toxic if inhaled

H335 May cause respiratory irritation

H350 May cause cancer

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

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

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.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/…if you feel unwell.

P330 Rinse mouth.

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.

P310 Immediately call a POISON CENTER/doctor/…

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

P311 Call a POISON CENTER/doctor/…

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

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

Storage

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

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
α,α,α-Trichlorotoluene α,α,α-Trichlorotoluene 98-07-7 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 colourless liquid
Colour no data available
Odour no data available
Melting point/ freezing point -7.5ºC
Boiling point or initial boiling point and boiling range 219-223ºC
Flammability no data available
Lower and upper explosion limit / flammability limit no data available
Flash point 97ºC
Auto-ignition temperature no data available
Decomposition temperature no data available
pH no data available
Kinematic viscosity no data available
Solubility In water:HYDROLYSIS
Partition coefficient n-octanol/water (log value) no data available
Vapour pressure 0.2 mm Hg ( 20 °C)
Density and/or relative density 1.3723
Relative vapour density 6.77 (vs air)
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: UN2226 IMDG: UN2226 IATA: UN2226

14.2 UN Proper Shipping Name

ADR/RID: BENZOTRICHLORIDE
IMDG: BENZOTRICHLORIDE
IATA: BENZOTRICHLORIDE

14.3 Transport hazard class(es)

ADR/RID: 8 IMDG: 8 IATA: 8

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
α,α,α-Trichlorotoluene α,α,α-Trichlorotoluene 98-07-7 none
European Inventory of Existing Commercial Chemical Substances (EINECS) Listed.
EC Inventory Listed.
United States Toxic Substances Control Act (TSCA) Inventory Listed.
China Catalog of Hazardous chemicals 2015 Listed.
New Zealand Inventory of Chemicals (NZIoC) Listed.
Philippines Inventory of Chemicals and Chemical Substances (PICCS) Listed.
Vietnam National Chemical Inventory Not Listed.
Chinese Chemical Inventory of Existing Chemical Substances (China IECSC) Listed.

16.Other information

Information on revision

Creation Date Aug 20, 2017
Revision Date Aug 20, 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
expand collapse
Name: alpha alpha alpha-Trichlorotoluene 98% Material Safety Data Sheet
Synonym: Benzotrichloride; Benzenyl chloride; Phenylchloroform; (Trichloromethyl)benzene
CAS: 98-07-7
Section 1 - Chemical Product   MSDS Name:alpha alpha alpha-Trichlorotoluene 98% Material Safety Data Sheet
Synonym:Benzotrichloride; Benzenyl chloride; Phenylchloroform; (Trichloromethyl)benzene

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
98-07-7 alpha, alpha, alpha-Trichlorotoluene 98 202-634-5
Hazard Symbols: T
Risk Phrases: 22 23 37/38 41 45

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Harmful if swallowed. Toxic by inhalation. Irritating to respiratory system and skin. Risk of serious damage to eyes. May cause cancer.Cancer suspect agent.
Potential Health Effects
Eye:
Lachrymator (substance which increases the flow of tears). Causes severe eye irritation and possible burns.
Skin:
May cause severe skin irritation. May be harmful if absorbed through the skin.
Ingestion:
Causes gastrointestinal tract burns. May be harmful if swallowed.
May cause central nervous system depression.
Inhalation:
Harmful if inhaled. May cause severe irritation of the respiratory tract with sore throat, coughing, shortness of breath and delayed lung edema. Causes chemical burns to the respiratory tract. Exposure produces central nervous system depression.
Chronic:
May cause cancer in humans.

Section 4 - FIRST AID MEASURES
  Eyes: In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical aid immediately.
Skin:
In case of contact, immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Get medical aid immediately. Wash clothing before reuse.
Ingestion:
If swallowed, do NOT induce vomiting. Get medical aid immediately.
If victim is fully conscious, give a cupful of water. Never give anything by mouth to an unconscious person.
Inhalation:
If inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Treat symptomatically and supportively.

Section 5 - FIRE FIGHTING MEASURES
  General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Use water spray to keep fire-exposed containers cool. Approach fire from upwind to avoid hazardous vapors and toxic decomposition products. Use of water will produce irritating and toxic vapors of hydrogen chloride. Hydrochloric acid solutions react with most metals, forming flammable hydrogen gas.
Extinguishing Media:
Do NOT get water inside containers. Use dry powder or carbon dioxide.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Clean up spills immediately, observing precautions in the Protective Equipment section. Provide ventilation. Do not get water inside containers. Evacuate unnecessary personnel. Approach spill from upwind.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Do not get in eyes, on skin, or on clothing. Keep container tightly closed. Use with adequate ventilation. Do not allow contact with water. Keep from contact with moist air and steam. Do not breathe vapor or mist.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Keep away from acids. Store protected from moisture. Store protected from light.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels below recommended exposure limits. Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower.
Exposure Limits CAS# 98-07-7: Germany: 0.012 ppm TWA; 0.1 mg/m3 TWA Malaysia: 0.1 ppm Ceiling Russia: 0.2 mg/m3 TWA Personal Protective Equipment Eyes: Wear chemical splash goggles.
Skin:
Wear appropriate gloves to prevent skin exposure.
Clothing:
Wear appropriate clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Liquid
Color: oily, colorless to light yellow
Odor: penetrating odor
pH: Not available.
Vapor Pressure: 0.23 mm Hg @ 20 deg C
Viscosity: Not available.
Boiling Point: 219-223 deg C @ 760 mm Hg
Freezing/Melting Point: 0 deg C
Autoignition Temperature: 211 deg C ( 411.80 deg F)
Flash Point: 97 deg C ( 206.60 deg F)
Explosion Limits, lower: 2.10 vol %
Explosion Limits, upper: 6.50 vol %
Decomposition Temperature:
Solubility in water: Reacts.
Specific Gravity/Density: 1.3800 g/ml
Molecular Formula: C7H5Cl3
Molecular Weight: 195.48

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions. Material hydrolyzes in contact with moisture/water releasing toxic and corrosive fumes of hydrogen chloride and aqueous hydrochloric acid.
Conditions to Avoid:
Light, moisture, excess heat.
Incompatibilities with Other Materials:
Water, strong oxidizing agents, strong acids, alkali metals, alkaline earth metals, aluminum, amines.
Hazardous Decomposition Products:
Hydrogen chloride, phosgene, carbon monoxide, carbon dioxide, Chlorine gas: from contact with highly acidic material..
Hazardous Polymerization: Will not occur.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 98-07-7: XT9275000 LD50/LC50:
CAS# 98-07-7: Inhalation, mouse: LC50 = 8 ppm/2H; Inhalation, mouse: LC50 = 60 mg/m3/2H; Inhalation, rat: LC50 = 19 ppm/2H; Inhalation, rat: LC50 = 150 mg/m3/2H; Oral, mouse: LD50 = 702 mg/kg; Oral, rat: LD50 = 1300 mg/kg; Skin, rabbit: LD50 = 4 gm/kg.
Inhalation LC50 rat: 8.39 mg/l/1H (Velsicol).
Carcinogenicity:
alpha, alpha, alpha-Trichlorotoluene - ACGIH: A2 - Suspected Human Carcinogen California: carcinogen, initial date 7/1/87 NTP: Suspect carcinogen IARC: Group 2A carcinogen Other:
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION
 

Section 13 - DISPOSAL CONSIDERATIONS
  Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION
 
IATA
Shipping Name: BENZOTRICHLORIDE
Hazard Class: 8
UN Number: 2226
Packing Group: II
IMO
Shipping Name: BENZOTRICHLORIDE
Hazard Class: 8
UN Number: 2226
Packing Group: II
RID/ADR
Shipping Name: BENZOTRICHLORIDE
Hazard Class: 8
UN Number: 2226
Packing group: II
USA RQ: CAS# 98-07-7: 10 lb final RQ; 4.54 kg final RQ

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: T
Risk Phrases:
R 45 May cause cancer.
R 22 Harmful if swallowed.
R 23 Toxic by inhalation.
R 37/38 Irritating to respiratory system and skin.
R 41 Risk of serious damage to eyes.
Safety Phrases:
S 53 Avoid exposure - obtain special instructions
before use.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 98-07-7: 3
Canada
CAS# 98-07-7 is listed on Canada's NDSL List.
CAS# 98-07-7 is listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 98-07-7 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

Spectrum

NMR Spectrum Predict 1H proton NMR
expand collapse

Related Compound Information