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98-07-7

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Identification

Name
Benzotrichloride
CAS
98-07-7
Synonyms
1-(trichloromethyl)benzene
A,A,A-TRICHLOROTOLUENE
ALPHA,ALPHA,ALPHA-TRICHLOROTOLUENE
BENZOTRICHLORIDE
BENZYLIDYNE TRICHLORIDE
BENZYLTRICHLORIDE
PHENYLCHLOROFORM
(TRICHLOROMETHYL)BENZENE
α,α,α-Trichlorotoluene
(trichloromethyl)-benzen
ai3-02583
alpha,alpha,alpha-Trichloromethylbenzene
alpha,alpha,alpha-trichloro-toluen
Benzene,(trichloromethyl)-
Benzenyl chloride
Benzenyl trichloride
benzenylchloride
benzenyltrichloride
Benzoic trichloride
benzoictrichloride
EINECS(EC#)
202-634-5
Molecular Formula
C7H5Cl3
MDL Number
MFCD00000786
Molecular Weight
195.47
MOL File
98-07-7.mol

Chemical Properties

Appearance
Benzotrichloride is a combustible, colorless to yellow-brown, oily liquid that fumes on contact with air. It has a penetrating odor.
Appearance
colourless liquid
Melting point 
−7.5-−7 °C(lit.)

mp 
−7.5-−7 °C(lit.)

Boiling point 
219-223 °C760 mm Hg(lit.)

bp 
219-223 °C760 mm Hg(lit.)

density 
1.38 g/mL at 25 °C(lit.)

vapor density 
6.77 (vs air)

vapor pressure 
0.2 mm Hg ( 20 °C)

refractive index 
n20/D 1.557(lit.)

Fp 
207 °F

storage temp. 
room temp
solubility 
alcohol: soluble
form 
Liquid
color 
Clear yellow
Stability:
Stable, but moisture sensitive. Incompatible with strong oxidizing agents, moisture.
Odor
penetrating odor
Water Solubility 
HYDROLYSIS
Sensitive 
Moisture Sensitive
Merck 
14,1109
BRN 
508152
InChIKey
XEMRAKSQROQPBR-UHFFFAOYSA-N
CAS DataBase Reference
98-07-7(CAS DataBase Reference)
NIST Chemistry Reference
Benzene, (trichloromethyl)-(98-07-7)
IARC
2A (Vol. 29, Sup 7, 71) 1999
EPA Substance Registry System
98-07-7(EPA Substance)

Safety Data

Hazard Codes 
T
Risk Statements 
R45:May cause cancer.
R22:Harmful if swallowed.
R23:Toxic by inhalation.
R37/38:Irritating to respiratory system and skin .
R41:Risk of serious damage to eyes.
Safety Statements 
S53:Avoid exposure-obtain special instruction before use .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
RIDADR 
UN 2226 8/PG 2

WGK Germany 
3

RTECS 
XT9275000

Autoignition Temperature
411 °F
TSCA 
Yes
HazardClass 
8
PackingGroup 
II
HS Code 
29039990
Hazardous Substances Data
98-07-7(Hazardous Substances Data)
Toxicity
LD50 orally in rats: 6.0 g/kg (Smyth)

Raw materials And Preparation Products

Hazard Information

General Description
A clear colorless to yellowish colored liquid with a penetrating odor. Denser than water and vapors are heavier than air. May be toxic by inhalation or ingestion. Burns skin, eyes, and mucous membranes. Insoluble in water. Used to make dyes and other chemicals.
Reactivity Profile
BENZOTRICHLORIDE(98-07-7) hydrolyzes in the presence of moisture. BENZOTRICHLORIDE(98-07-7) reacts with water, lime, ammonia, strong alkalis, organic amines, chlorates and acids.
Air & Water Reactions
Hydrolyzes in the presence of moisture. The reaction is rather slow due to low solubility in water.
Hazard
Highly toxic by inhalation, fumes highly irritant. Eye, skin, and upper respiratory tract irri- tant. Probable carcinogen.
Health Hazard
Toxic by inhalation; fumes are highly irritating to skin and mucous membranes. May cause death or permanent injury after very short exposure to small quantities. A suspected carcinogen.
Potential Exposure
Benzotrichloride is used as a chemical and dye intermediate; extensively used in the dye industry for the production of Malachite green, Rosamine, Quinoline red, and Alizarin yellow A. It can also be used to produce ethyl benzoate. Commercial grades may contain hydrochloric acid, benzylidene chloride, or benzyl chloride.
Fire Hazard
This material may react violently with water. Fire may produce irritating or poisonous gases. Flammable/poisonous gases may accumulate in tanks and hopper cars. Materials may ignite combustibles (wood, paper, oil, etc.). Produces toxic and corrosive fumes when BENZOTRICHLORIDE reacts with water or steam. Similar to hydrochloric acid; material will react with water or steam to produce toxic and corrosive fumes. Hydrolyzes in presence of water forming benzoic and hydrochloric acids.
First aid
If this chemical gets into the eyes, remove any contact lenses at once and irrigate immediately for at least 15 minutes, occasionally lifting upper and lower lids. Seek medical attention immediately. If this chemical contacts the skin, remove contaminated clothing and wash immediately with soap and water. Seek medical attention immediately. If this chemical has been inhaled, remove from exposure, begin rescue breathing (using universal precautions, including resuscitation mask) if breathing has stopped and CPR if heart action has stopped. Transfer promptly to a medical facility. When this chemical has been swallowed, get medical attention. If victim is conscious, administer water or milk. Do not induce vomiting. Medical observation is recommended for 24 to 48 hours after breathing overexposure, as pulmonary edema may be delayed. As first aid for pulmonary edema, a doctor or authorized paramedic may consider administering a drug or other inhalation therapy.
Shipping
UN2226 Benzotrichloride, Hazard class: 8; Labels: 8—Corrosive material.
Incompatibilities
Benzotrichloride decomposes on heating, on contact with acids and/or water, producing toxic and corrosive hydrogen chloride and benzoic acid. Reacts violently with strong oxidizers, iron and other metals, alkali and earth alkali metals; bases and organic substances, and may cause fire and explosions. On contact with air it emits toxic and corrosive hydrogen chloride. Attacks many metals in presence of water. Attacks many plastics.
Chemical Properties
Benzotrichloride is a combustible, colorless to yellow-brown, oily liquid that fumes on contact with air. It has a penetrating odor.
Chemical Properties
colourless liquid
Waste Disposal
Incineration with flammable solvent added in incinerator with afterburner and alkaline scrubber.
Uses
In dye chemistry. In organic syntheses (source of benzenyl group).
Uses
α,α,α-Trichlorotoluene was used in determination of chlorinated toluenes in effluents of wastewater treatment plants and textile industries by closed loop stripping analysis.
Uses
Chemical intermediate primarily in benzoyl chloride production; dye intermediate
Carcinogenicity
Benzotrichloride is reasonably anticipated to be a human carcinogen based on sufficient evidence of carcinogenicity from studies in experimental animals.

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