AG003F0J

612-13-5 | 2-(chloromethyl)benzonitrile

AG003F0J

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CAS Number	612-13-5
Catalog Number	AG003F0J(AGN-PC-0JL8U9)
Chemical Name	2-(chloromethyl)benzonitrile
EC Number	210-292-3
IUPAC Name	2-(chloromethyl)benzonitrile
InChI	InChI=1S/C8H6ClN/c9-5-7-3-1-2-4-8(7)6-10/h1-4H,5H2
InChI Key	ZSHNOXOGXHXLAV-UHFFFAOYSA-N
MDL Number	MFCD00019745
Molecular Formula	C8H6ClN
Molecular Weight	151.5929
NSC Number	102157
SMILES	C(Cl)c1c(C#N)cccc1
Synonyms	2-(Chloromethyl)benzonitrile, 612-13-5, 2-Cyanobenzyl chloride, 2-Cyanobenzylchloride, 2-Chloromethylbenzonitrile, alpha-Chloro-o-tolunitrile, Benzonitrile, 2-(chloromethyl)-, 2-Chloromethyl-benzonitrile, o-Cyanobenzylchloride, o-(Chloromethyl)benzonitrile, o-Tolunitrile, alpha-chloro-, EINECS 210-292-3, NSC 102157, BRN 0742604, Benzonitrile, 2-(chloromethyl)- (9CI), NSC102157, o-cyanobenzyl chloride, PubChem7522, Enamine_005981, o-chloromethylbenzonitrile, AC1Q3TZJ, ACMC-1B1GM, 2-chloromethyl benzonitrile, WLN: NCR B1G, AC1L2B8D, AC1Q3U9L, NCIOpen2_001754, .alpha.-Chloro-o-tolunitrile, 4-09-00-01707 (Beilstein Handbook Reference), KSC492I2R, SCHEMBL1434373, o-Tolunitrile, .alpha.-chloro-, CTK3J2428, KS-00000EGI, DTXSID70210098, ZSHNOXOGXHXLAV-UHFFFAOYSA-N, HMS1410P19, ZINC331060, 2-(chloromethyl)benzenecarbonitrile, 2-(CHLOROMETHYL)TOLUNITRILE, ANW-33726, BBL005526, MFCD00019745, SBB064065, STL124029, AKOS000294855, LS11849, MCULE-9644554505, NSC-102157, RP21537, TRA0018911, IDI1_008216, AC-23549, AJ-19387, AK-53415, AM101019, AN-46491, AS-10818, BC202328, BR-53415, CJ-02773, SC-05727, SY013447, ZB010540, AB0008277, AB1009803, DB-020943, LS-154424, RT-000630, ST2409377, FT-0659776, EN300-12687, M-3167, MFCD00019745 (97+%), 612C135, AC-907/25004765, W-105175, F0001-1609, C8H6ClN, |A-chloro-o-tolunitrile, 1,2-Cyclohexanediamine, C8-H6-Cl-N, CID69152, AR-1L8538, C2656, 6271-15-4,

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	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335-H412
Packing Group
Precautionary statements	P261-P273-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number