EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:28124 - 4,4'-methylene-bis-(2-chloroaniline)

ChEBI IDCHEBI:28124
ChEBI Name4,4'-methylene-bis-(2-chloroaniline)
Stars
DefinitionA chloroaniline that consists of two 2-chloroaniline units joined by a methylene bridge.
Secondary ChEBI IDsCHEBI:1741, CHEBI:20264
Last Modified19 September 2013
DownloadsMolfile
FormulaC13H12Cl2N2
Net Charge0
Average Mass267.159
Monoisotopic Mass266.03775
SMILESNc1ccc(Cc2ccc(N)c(Cl)c2)cc1Cl
InChIInChI=1S/C13H12Cl2N2/c14-10-6-8(1-3-12(10)16)5-9-2-4-13(17)11(15)7-9/h1-4,6-7H,5,16-17H2
InChIKeyIBOFVQJTBBUKMU-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
4,4'-methylene-bis-(2-chloroaniline) (CHEBI:28124) has role metabolite (CHEBI:25212)
4,4'-methylene-bis-(2-chloroaniline) (CHEBI:28124) is a chloroaniline (CHEBI:23130)
IUPAC Name 
4,4'-methanediylbis(2-chloroaniline)
Synonyms  Source
Methylenebis(chloroaniline)KEGG COMPOUND
MOCAKEGG COMPOUND
Manual XrefsDatabases
C10999KEGG COMPOUND
4,4'-Methylenebis(2-chloroaniline)Wikipedia
Registry NumbersSources
Reaxys:1882318Reaxys
CAS:101-14-4KEGG COMPOUND
CAS:101-14-4ChemIDplus
Citations