Benzotrichloride

Benzotrichloride Basic information
Product Name:Benzotrichloride
Synonyms:(trichloromethyl)-benzen;ai3-02583;alpha,alpha,alpha-Trichloromethylbenzene;alpha,alpha,alpha-trichloro-toluen;Benzene,(trichloromethyl)-;Benzenyl chloride;Benzenyl trichloride;benzenylchloride
CAS:98-07-7
MF:C7H5Cl3
MW:195.47
EINECS:202-634-5
Product Categories:Pharmaceutical Intermediates;Aryl;Building Blocks;C7;Chemical Synthesis;Halogenated Hydrocarbons;Intermediates of Dyes and Pigments;Organic Building Blocks;98-07-7;bc0001
Mol File:98-07-7.mol
Benzotrichloride Structure
Benzotrichloride Chemical Properties
Melting point −7.5-−7 °C(lit.)
Boiling point 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
Odorpenetrating odor
Water Solubility HYDROLYSIS
Sensitive Moisture Sensitive
Merck 14,1109
BRN 508152
Exposure limitsACGIH: Ceiling 0.1 ppm (Skin)
Stability:Stable, but moisture sensitive. Incompatible with strong oxidizing agents, moisture.
InChIKeyXEMRAKSQROQPBR-UHFFFAOYSA-N
LogP2.92 at 20℃ and pH6
CAS DataBase Reference98-07-7(CAS DataBase Reference)
IARC2A (Vol. 29, Sup 7, 71) 1999
NIST Chemistry ReferenceBenzene, (trichloromethyl)-(98-07-7)
EPA Substance Registry SystemBenzotrichloride (98-07-7)
Safety Information
Hazard Codes T
Risk Statements 45-22-23-37/38-41
Safety Statements 53-45
RIDADR UN 2226 8/PG 2
WGK Germany 3
RTECS XT9275000
Autoignition Temperature411 °F
TSCA Yes
HazardClass 8
PackingGroup II
HS Code 29039990
Hazardous Substances Data98-07-7(Hazardous Substances Data)
ToxicityLD50 orally in rats: 6.0 g/kg (Smyth)
MSDS Information
ProviderLanguage
SigmaAldrich English
ACROS English
ALFA English
Benzotrichloride Usage And Synthesis
Chemical PropertiesBenzotrichloride is a combustible, colorless to yellow-brown, oily liquid that fumes on contact with air. It has a penetrating odor.
Usesα,α,α-Trichlorotoluene was used in determination of chlorinated toluenes in effluents of wastewater treatment plants and textile industries by closed loop stripping analysis.
UsesIn dye chemistry. In organic syntheses (source of benzenyl group).
UsesChemical intermediate primarily in benzoyl chloride production; dye intermediate
DefinitionChEBI: (trichloromethyl)benzene is an organochlorine compound that is toluene in which all three hydrogens of the methyl group have been replaced by chlorines. It is used as an intermediate in organic synthesis and dye chemistry. It has a role as a carcinogenic agent. It is a member of benzenes, a volatile organic compound and an organochlorine compound.
General DescriptionBenzotrichloride appears as 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.
Air & Water ReactionsHydrolyzes in the presence of moisture. The reaction is rather slow due to low solubility in water.
Reactivity ProfileBenzotrichloride hydrolyzes in the presence of moisture. Benzotrichloride reacts with water, lime, ammonia, strong alkalis, organic amines, chlorates and acids.
HazardHighly toxic by inhalation, fumes highly irritant. Eye, skin, and upper respiratory tract irri- tant. Probable carcinogen.
Health HazardToxic 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.
Fire HazardBenzotrichloride 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.
Potential ExposureBenzotrichloride 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.
CarcinogenicityBenzotrichloride is reasonably anticipated to be a human carcinogen based on sufficient evidence of carcinogenicity from studies in experimental animals.
ShippingUN2226 Benzotrichloride, Hazard class: 8; Labels: 8—Corrosive material.
IncompatibilitiesBenzotrichloride 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.
Waste DisposalIncineration with flammable solvent added in incinerator with afterburner and alkaline scrubber.
BENZAL CHLORIDE Xylene 3-FLUORO-ALPHA,ALPHA,ALPHA-TRICHLOROTOLUENE,m-fluoro-alpha,alpha,alpha-trichlorotoluene p-Toluenesulfonic acid Benzyl chloride 2-Chlorobenzotrichloride 4-CHLORO-ALPHA,ALPHA,ALPHA-TRICHLOROTOLUENE 4-tert-Butylbenzyl chloride Trichloroisocyanuric acid Trichlorosilane Trichloroethylene Chloroform Benzotrichloride Triclosan Benzene Allylbenzene Sucralose Trichloroacetic acid

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