CHEBI:38218 - isophthalonitrile

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name isophthalonitrile
ChEBI ID CHEBI:38218
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C8H4N2
Net Charge 0
Average Mass 128.13084
Monoisotopic Mass 128.03745
InChI InChI=1S/C8H4N2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H
InChIKey LAQPNDIUHRHNCV-UHFFFAOYSA-N
SMILES N#Cc1cccc(c1)C#N
ChEBI Ontology
Outgoing isophthalonitrile (CHEBI:38218) has functional parent isophthalic acid (CHEBI:30802)
isophthalonitrile (CHEBI:38218) is a nitrile (CHEBI:18379)
Incoming 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 Sources
1,3-Benzenedicarbonitrile NIST Chemistry WebBook
1,3-Dicyanobenzene ChemIDplus
3-Cyanobenzonitrile ChemIDplus
IPN NIST Chemistry WebBook
Isophthalodinitrile NIST Chemistry WebBook
m-Dicyanobenzene ChemIDplus
Registry Numbers Types Sources
2038364 Beilstein Registry Number Beilstein
626-17-5 CAS Registry Number ChemIDplus
626-17-5 CAS Registry Number NIST Chemistry WebBook
Last Modified
30 September 2016