AG00BFJS

28442-78-6 | 2-Chloroisophthalonitrile

AG00BFJS

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CAS Number	28442-78-6
Catalog Number	AG00BFJS(AGN-PC-0JN1D2)
Chemical Name	2-Chloroisophthalonitrile
IUPAC Name	2-chlorobenzene-1,3-dicarbonitrile
InChI	InChI=1S/C8H3ClN2/c9-8-6(4-10)2-1-3-7(8)5-11/h1-3H
InChI Key	KELQMIQLTBTJNV-UHFFFAOYSA-N
MDL Number	MFCD01657061
Molecular Formula	C8H3ClN2
Molecular Weight	162.5758
SMILES	ClC1=C(C=CC=C1C#N)C#N
Synonyms	2-Chloroisophthalonitrile, 28442-78-6, 2-Chloro-1,3-dicyanobenzene, 2-chlorobenzene-1,3-dicarbonitrile, 1,3-Benzenedicarbonitrile, 2-chloro-, 2-Chloro-1,3-benzenedicarbonitrile, 1-Chloro-2,6-Dicyanobenzene, BRN 2253494, 1,3-Benzenedicarbonitrile, chloro-, chloroisophthalonitrile, PubChem2172, 2,6-Dicyanochlorobenzene, AC1L4H2P, SCHEMBL3237062, CHEMBL3248166, CTK4G1415, KS-00000MZL, DTXSID90182642, KELQMIQLTBTJNV-UHFFFAOYSA-N, ACT12603, ZINC3628623, 1,3-Benzenedicarbonitrile,2-chloro-, ANW-71760, MFCD01657061, AKOS006278992, AC-9681, AM61884, AS01528, DS-2637, MP-0801, AJ-45139, AK-76034, CJ-10690, LS-29677, AB0061422, DB-067929, ST2416810, TC-160505, 4CH-015131, FT-0658907, Z4545, A20474, 442C786, I01-4760, C8H3ClN2, C8-H3-Cl-N2, CID206674,

Complexity	207
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	2

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

Certificate of Analysis

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