(trichloromethyl)benzene (CHEBI:82274)

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ChEBI Name	(trichloromethyl)benzene

ChEBI ID	CHEBI:82274

Definition	An organochlorine compound that is toluene in which all three hydrogens of the methyl group have been replaced by chlorines.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.

Stars	This entity has been manually annotated by the ChEBI Team.

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Formula

C7H5Cl3

Net Charge

Average Mass

195.474

Monoisotopic Mass

193.94568

InChI

InChI=1S/C7H5Cl3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H

InChIKey

XEMRAKSQROQPBR-UHFFFAOYSA-N

SMILES

C1=CC=CC(=C1)C(Cl)(Cl)Cl

Roles Classification
Biological Role(s):	carcinogenic agent A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities.

ChEBI Ontology
Outgoing	(trichloromethyl)benzene (CHEBI:82274) has role carcinogenic agent (CHEBI:50903) (trichloromethyl)benzene (CHEBI:82274) is a benzenes (CHEBI:22712) (trichloromethyl)benzene (CHEBI:82274) is a organochlorine compound (CHEBI:36683) (trichloromethyl)benzene (CHEBI:82274) is a volatile organic compound (CHEBI:134179)

IUPAC Name

(trichloromethyl)benzene

Last Modified

15 March 2018