5-amino-2-chlorobenzotrifluoride (CHEBI:59245)

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ChEBI Name	5-amino-2-chlorobenzotrifluoride

ChEBI ID	CHEBI:59245

Definition	A monochlorobenzene that is the 3-trifluoromethyl derivative of 4-chloroaniline.

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

Supplier Information

Download	Molfile XML SDF

Formula

C7H5ClF3N

Net Charge

Average Mass

195.570

Monoisotopic Mass

195.00626

InChI

InChI=1S/C7H5ClF3N/c8-6-2-1-4(12)3-5(6)7(9,10)11/h1-3H,12H2

InChIKey

ASPDJZINBYYZRU-UHFFFAOYSA-N

SMILES

C=1C(=C(C=CC1N)Cl)C(F)(F)F

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

Biological Role(s):	epitope The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds.

ChEBI Ontology
Outgoing	5-amino-2-chlorobenzotrifluoride (CHEBI:59245) has role epitope (CHEBI:53000) 5-amino-2-chlorobenzotrifluoride (CHEBI:59245) is a (trifluoromethyl)benzenes (CHEBI:83565) 5-amino-2-chlorobenzotrifluoride (CHEBI:59245) is a chloroaniline (CHEBI:23130) 5-amino-2-chlorobenzotrifluoride (CHEBI:59245) is a monochlorobenzenes (CHEBI:83403)

IUPAC Name

4-chloro-3-(trifluoromethyl)aniline

Synonyms	Sources
3-(Trifluoromethyl)-4-chloroaniline	ChemIDplus
4-Chloro-3-(trifluoromethyl)aniline	ChemIDplus
4-chloro-3-(trifluoromethyl)benzenamine	ChemIDplus
4-chloro-alpha,alpha,alpha-trifluoro-m-toluidine	ChemIDplus
5-Amino-2-chlorobenzotrifluoride	NIST Chemistry WebBook
6-Chloro-3-aminobenzotrifluoride	NIST Chemistry WebBook
ACBT	ChEBI

Citation	Type	Source
8841454	PubMed citation	Europe PMC

Last Modified

19 August 2016