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CHEBI:59245 - 5-amino-2-chlorobenzotrifluoride

ChEBI IDCHEBI:59245
ChEBI Name5-amino-2-chlorobenzotrifluoride
Stars
DefinitionA monochlorobenzene that is the 3-trifluoromethyl derivative of 4-chloroaniline.
Last Modified19 August 2016
SubmitterSteve
DownloadsMolfile
FormulaC7H5ClF3N
Net Charge0
Average Mass195.571
Monoisotopic Mass195.00626
SMILESNc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C7H5ClF3N/c8-6-2-1-4(12)3-5(6)7(9,10)11/h1-3H,12H2
InChIKeyASPDJZINBYYZRU-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
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 Relation(s)
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  Source
ACBTChEBI
3-(Trifluoromethyl)-4-chloroanilineChemIDplus
4-Chloro-3-(trifluoromethyl)anilineChemIDplus
4-chloro-alpha,alpha,alpha-trifluoro-m-toluidineChemIDplus
4-chloro-3-(trifluoromethyl)benzenamineChemIDplus
5-Amino-2-chlorobenzotrifluorideNIST Chemistry WebBook
Manual XrefsDatabases
EP2548859Patent
Registry NumbersSources
Gmelin:1778143Gmelin
Reaxys:641588Reaxys
CAS:320-51-4ChemIDplus
CAS:320-51-4NIST Chemistry WebBook
Citations