EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:35289 - 1,2,3-trichlorobenzene

ChEBI IDCHEBI:35289
ChEBI Name1,2,3-trichlorobenzene
Stars
DefinitionA trichlorobenzene carrying chloro substituents at positions 1, 2 and 3.
Secondary ChEBI IDsCHEBI:18860, CHEBI:34035
Last Modified11 March 2014
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC6H3Cl3
Net Charge0
Average Mass181.449
Monoisotopic Mass179.93003
SMILESClc1cccc(Cl)c1Cl
InChIInChI=1S/C6H3Cl3/c7-4-2-1-3-5(8)6(4)9/h1-3H
InChIKeyRELMFMZEBKVZJC-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1,2,3-trichlorobenzene (CHEBI:35289) is a trichlorobenzene (CHEBI:27096)
IUPAC Name 
1,2,3-trichlorobenzene
Synonyms  Source
1,2,3-TrichlorbenzolChEBI
1,2,3-TrichlorobenzeneKEGG COMPOUND
vic-trichlorobenzeneChemIDplus
1,2,6-trichlorobenzeneChemIDplus
Manual XrefsDatabases
c0687UM-BBD
C14408KEGG COMPOUND
CPD-10627MetaCyc
Registry NumbersSources
Gmelin:847785Gmelin
Beilstein:956882Beilstein
Reaxys:956882Reaxys
CAS:87-61-6ChemIDplus
CAS:87-61-6NIST Chemistry WebBook
CAS:87-61-6KEGG COMPOUND
Citations