AG001AEJ

139152-08-2 | 1,2-Benzenedicarbonitrile, 4,5-dichloro-

AG001AEJ

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CAS Number	139152-08-2
Catalog Number	AG001AEJ(AGN-PC-0JX24F)
Chemical Name	1,2-Benzenedicarbonitrile, 4,5-dichloro-
IUPAC Name	4,5-dichlorobenzene-1,2-dicarbonitrile
InChI	InChI=1S/C8H2Cl2N2/c9-7-1-5(3-11)6(4-12)2-8(7)10/h1-2H
InChI Key	SRIJSZQFAMLVQV-UHFFFAOYSA-N
MDL Number	MFCD00191408
Molecular Formula	C8H2Cl2N2
Molecular Weight	197.0209
SMILES	N#CC1=CC(Cl)=C(Cl)C=C1C#N
Synonyms	4,5-Dichlorophthalonitrile, 139152-08-2, 4,5-dichlorobenzene-1,2-dicarbonitrile, 1,2-Dichloro-4,5-dicyanobenzene, ACMC-209cit, Intermediates-ZCF02070, AC1LGY50, C8H2Cl2N2, 4,5-Dichlorophthalodinitrile, SCHEMBL522162, CTK4C1651, DTXSID00357485, SRIJSZQFAMLVQV-UHFFFAOYSA-N, 4,5-Dichlorophthalonitrile, 99%, ZINC396069, ZX-AT001108, 6734AA, ANW-20499, MFCD00191408, OR1063, AKOS003647814, AS05830, CM13033, FCH1112800, MCULE-4761296049, PS-3356, RTR-035681, KS-0000142B, AJ-21581, AK-46272, SC-89889, ZB012601, 1,2-Benzenedicarbonitrile, 4,5-dichloro-, AX8092547, DB-030564, D2189, FT-0687054, ST45059353, AK-918/13500067, J-007244, I14-35584, InChI=1/C8H2Cl2N2/c9-7-1-5(3-11)6(4-12)2-8(7)10/h1-2, CID853747, ZINC00396069, 4,5-Dichlorophthalonitrile, 98% - 1G 1g,

Complexity	231
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	195.96g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	197.018g/mol
Monoisotopic Mass	195.96g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	47.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

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