AG003DCD

613-73-0 | 2-[2-(cyanomethyl)phenyl]acetonitrile

AG003DCD

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CAS Number	613-73-0
Catalog Number	AG003DCD(AGN-PC-0WA42D)
Chemical Name	2-[2-(cyanomethyl)phenyl]acetonitrile
EC Number	210-351-3
IUPAC Name	2-[2-(cyanomethyl)phenyl]acetonitrile
InChI	InChI=1S/C10H8N2/c11-7-5-9-3-1-2-4-10(9)6-8-12/h1-4H,5-6H2
InChI Key	FWPFXBANOKKNBR-UHFFFAOYSA-N
MDL Number	MFCD00001905
Molecular Formula	C10H8N2
Molecular Weight	156.1839
NSC Number	5170
SMILES	N#CCC1=CC=CC=C1CC#N
Synonyms	613-73-0, 1,2-Phenylenediacetonitrile, o-Phenylenediacetonitrile, 1,2-Bis(cyanomethyl)benzene, o-Xylylene dicyanide, 2-[2-(cyanomethyl)phenyl]acetonitrile, 2,2'-(1,2-Phenylene)diacetonitrile, o-Benzenediacetonitrile, 1,2-Benzenediacetonitrile, o-Bis(cyanomethyl)benzene, 613-23-0, MFCD00001905, o-BENZENDIACETONITRILE, FWPFXBANOKKNBR-UHFFFAOYSA-N, 2,2'-(1,2-Phenylene);diacetonitrile, o-Phenylenediacetonitrile, 99+%, 2,2'-(1,2-Phenylene)diacetonitrile;2,2'-(1,2-Phenylene)diacetonitrile, 2-[2-(cyanomethyl)phenyl]ethanenitrile, o-Xylylendicyanid, NSC5170, o-xylylenedicyanide, o-Xylylene Cyanide, EINECS 210-351-3, AC1L2BAP, ACMC-1BH4A, 1 ,2-phenylenediacetonitrile, KSC352O7T, alpha,alpha'-Dicyano-o-xylene, AC1Q4S44, SCHEMBL1945874, CTK2F2779, DTXSID00210203, ZINC392023, NSC-5170, ANW-33794, BBL104229, SBB068546, STL558245, 2,2'-benzene-1,2-diyldiacetonitrile, AKOS003388281, AS06122, CM13732, LS11279, MCULE-1961877879, QC-4913, TRA0091767, VZ36710, AC-22737, AJ-21211, AN-46513, AN-46525, AS-11784, BC211046, SY025677, AB0010745, RT-000632, FT-0606304, ST24027218, ST45029344, EN300-75165, KS-00000534, o-Phenylenediacetonitrile;Phthalic acetonitrile, A24726, M-3080, MFCD00001905 (97+%), I14-7345, W-105164, I14-11966, Z1262237212, InChI=1/C10H8N2/c11-7-5-9-3-1-2-4-10(9)6-8-12/h1-4H,5-6H, C10H8N2, CID69180, AR-1K8726, C10-H8-N2, ACN-055857, X0050, 1,2-Phenylenediacetonitrile, 99% - 10G 10g, 64567-62-0,

Complexity	201
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	156.069g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	156.188g/mol
Monoisotopic Mass	156.069g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	47.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301+H311+H331
Packing Group	Ⅲ
Precautionary statements	P261-P280-P301+P310-P311
UN Code	UN 3439

Certificate of Analysis

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