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CHEBI:38218 - isophthalonitrile

ChEBI IDCHEBI:38218
ChEBI Nameisophthalonitrile
Stars
Last Modified30 September 2016
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC8H4N2
Net Charge0
Average Mass128.134
Monoisotopic Mass128.03745
SMILESN#Cc1cccc(C#N)c1
InChIInChI=1S/C8H4N2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H
InChIKeyLAQPNDIUHRHNCV-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
isophthalonitrile (CHEBI:38218) has functional parent isophthalic acid (CHEBI:30802)
isophthalonitrile (CHEBI:38218) is a nitrile (CHEBI:18379)
Incoming Relation(s)
4-hydroxychlorothalonil (CHEBI:133542) has functional parent isophthalonitrile (CHEBI:38218)
chlorothalonil (CHEBI:3639) has functional parent isophthalonitrile (CHEBI:38218)
IUPAC Name 
benzene-1,3-dicarbonitrile
Synonyms  Source
1,3-DicyanobenzeneChemIDplus
3-CyanobenzonitrileChemIDplus
m-DicyanobenzeneChemIDplus
1,3-BenzenedicarbonitrileNIST Chemistry WebBook
IsophthalodinitrileNIST Chemistry WebBook
IPNNIST Chemistry WebBook
Registry NumbersSources
Beilstein:2038364Beilstein
CAS:626-17-5ChemIDplus
CAS:626-17-5NIST Chemistry WebBook