AG005711

76241-79-7 | 3-Chlorophthalonitrile

AG005711

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CAS Number	76241-79-7
Catalog Number	AG005711(AGN-PC-0KNXII)
Chemical Name	3-Chlorophthalonitrile
EC Number	278-398-2
IUPAC Name	3-chlorobenzene-1,2-dicarbonitrile
InChI	InChI=1S/C8H3ClN2/c9-8-3-1-2-6(4-10)7(8)5-11/h1-3H
InChI Key	LZQGFZMYLYXXHI-UHFFFAOYSA-N
MDL Number	MFCD19689405
Molecular Formula	C8H3ClN2
Molecular Weight	162.5758
SMILES	ClC1C=CC=C(C#N)C=1C#N
Synonyms	3-chlorophthalonitrile, 76241-79-7, 3-Chlorobenzene-1,2-dicarbonitrile, 1,2-Benzenedicarbonitrile, 3-chloro-, EINECS 278-398-2, chloro-phthalonitrile, AC1MI6XG, AC1Q3K4B, KSC498A6T, SCHEMBL769417, CTK3J8069, LZQGFZMYLYXXHI-UHFFFAOYSA-N, ANW-59206, CL8193, MFCD19689405, ZINC33606617, AKOS016002219, FCH1192907, KS-0000118O, AJ-86227, AK-43163, AS-45998, CJ-18082, AB0060985, AX8210631, RT-004218, ST24042093, Z6025, X-1215, C8H3ClN2, C8-H3-Cl-N2, CID3018642,

Complexity	231
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	161.998g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	162.576g/mol
Monoisotopic Mass	161.998g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	47.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number