AG00IBD2

64407-07-4 | Benzonitrile, 3-(chloromethyl)-

AG00IBD2

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CAS Number	64407-07-4
Catalog Number	AG00IBD2(AGN-PC-0JSAFI)
Chemical Name	Benzonitrile, 3-(chloromethyl)-
IUPAC Name	3-(chloromethyl)benzonitrile
InChI	InChI=1S/C8H6ClN/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5H2
InChI Key	WRXVOTDGLNPNND-UHFFFAOYSA-N
MDL Number	MFCD02684191
Molecular Formula	C8H6ClN
Molecular Weight	151.5929
SMILES	C(Cl)c1cc(C#N)ccc1
Synonyms	3-(chloromethyl)benzonitrile, 64407-07-4, 3-Cyanobenzyl chloride, M-CYANOBENZYL CHLORIDE, 3-Cyanobenzylchloride, Benzonitrile, 3-(chloromethyl)-, m-cyanobenzylchloride, 3-CYANO-BENZYL CHLORIDE, 3-(chloromethyl)benzenecarbonitrile, 3-Cyano benzyl chloride, m-Cyanbenzylchlorid, PubChem10207, AC1LAWJ8, 3-Chloromethylbenzonitrile, alpha-Chloro-m-tolunitrile, 3-chloromethyl benzonitrile, 3-chloromethyl-benzonitrile, AC1Q3U0A, SCHEMBL18405, M-CYANO BENZYL CHLORIDE, Benzonitrile,3-(chloromethyl)-, 3-(CH2Cl)-C6H4-CN, CTK5C1207, DTXSID00334857, WRXVOTDGLNPNND-UHFFFAOYSA-N, KS-000017GC, ZINC2583900, 3-(Chloromethyl)benzonitrile, 97%, ANW-50165, BBL100103, MFCD02684191, SBB068550, STL451558, AKOS000118608, CS-W021770, LS11850, MCULE-1648513879, VZ36224, AJ-43306, AK-44731, AS-10866, BR-44731, CJ-10322, SC-78056, AB0008362, DB-016165, ST2417392, TR-022067, AM20061061, FT-0615492, EN300-11189, M-3169, A811290, I14-7349, J-521680, F0001-1744, C8H6ClN, CID522126, ZINC02583900, Benzonitrile, 3-(chloromethyl)- (9CI), C2751, 1711-11-1,

Complexity	147
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	151.019g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	151.593g/mol
Monoisotopic Mass	151.019g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H290-H301-H314-H302-H315-H319
Packing Group
Precautionary statements	P234-P260-P264-P270-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P390-P405-P406-P501-P305+P351+P338
UN Code	\N

Certificate of Analysis

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