CHEBI:82274 - (trichloromethyl)benzene

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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Definition An organochlorine compound that is toluene in which all three hydrogens of the methyl group have been replaced by chlorines.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 0
Average Mass 195.474
Monoisotopic Mass 193.946
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.
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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
Synonyms Sources
1-(trichloromethyl)benzene ChemIDplus
α,α,α-trichlorotoluene ChemIDplus
benzotrichloride ChemIDplus
phenylchloroform ChemIDplus
Manual Xrefs Databases
Benzotrichloride Wikipedia
C19166 KEGG COMPOUND
US1828858 Patent
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Registry Numbers Types Sources
98-07-7 CAS Registry Number NIST Chemistry WebBook
98-07-7 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
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Last Modified
15 March 2018