EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:20331 - 4-chloroaniline

ChEBI IDCHEBI:20331
ChEBI Name4-chloroaniline
Stars
DefinitionA chloroaniline in which the chloro atom is para to the aniline amino group.
Secondary ChEBI IDsCHEBI:34397, CHEBI:116809
Last Modified23 October 2014
DownloadsMolfile
FormulaC6H6ClN
Net Charge0
Average Mass127.574
Monoisotopic Mass127.01888
SMILESNc1ccc(Cl)cc1
InChIInChI=1S/C6H6ClN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2
InChIKeyQSNSCYSYFYORTR-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
4-chloroaniline (CHEBI:20331) is a chloroaniline (CHEBI:23130)
4-chloroaniline (CHEBI:20331) is a monochlorobenzenes (CHEBI:83403)
IUPAC Name 
4-chloroaniline
Synonyms  Source
4-ChloroanilineKEGG COMPOUND
1-Amino-4-chlorobenzeneKEGG COMPOUND
4-Chloro-phenylamineChEMBL
p-ChloroanilineChemIDplus
4-Amino-1-chlorobenzeneChemIDplus
4-ChlorobenzenamineChemIDplus
Manual XrefsDatabases
c0766UM-BBD
C14450KEGG COMPOUND
4-ChloroanilineWikipedia
Registry NumbersSources
Reaxys:471359Reaxys
CAS:106-47-8KEGG COMPOUND
CAS:106-47-8ChemIDplus
CAS:106-47-8NIST Chemistry WebBook
Citations