AG003DLE

626-22-2 | 1,3-Phenylenediacetonitrile

AG003DLE

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CAS Number	626-22-2
Catalog Number	AG003DLE(AGN-PC-0JL8ZE)
Chemical Name	1,3-Phenylenediacetonitrile
EC Number	210-936-3
IUPAC Name	2-[3-(cyanomethyl)phenyl]acetonitrile
InChI	InChI=1S/C10H8N2/c11-6-4-9-2-1-3-10(8-9)5-7-12/h1-3,8H,4-5H2
InChI Key	GRPFZJNUYXIVSL-UHFFFAOYSA-N
MDL Number	MFCD00001915
Molecular Formula	C10H8N2
Molecular Weight	156.1839
NSC Number	77095
SMILES	C(C#N)c1cc(CC#N)ccc1
UNII	P3W7U10SP7
Synonyms	1,3-Phenylenediacetonitrile, 626-22-2, 1,3-Benzenediacetonitrile, m-Phenylenediacetonitrile, 2,2'-(1,3-Phenylene)diacetonitrile, m-Benzenediacetonitrile, m-Xylylene dicyanide, Acetonitrile, m-phenylenedi-, 1,3-Bis(cyanomethyl)benzene, m-Bis(cyanomethyl)benzene, NSC 77095, 2-[3-(cyanomethyl)phenyl]acetonitrile, EINECS 210-936-3, BRN 3240670, UNII-P3W7U10SP7, P3W7U10SP7, GRPFZJNUYXIVSL-UHFFFAOYSA-N, 2,2-(1,3-Phenylene)diacetonitrile, MFCD00001915, W-104979, m-xylylenedicyanide, m-Xylylene Cyanide, meta-xylylene dicyanide, Maybridge1_002378, 1,3-benzene diacetonitrile, WLN: NC1R C1CN, AC1L2BQ5, AC1Q4S3R, 1,3-phenylene-diacetonitrile, alpha,alpha'-Dicyano-m-xylene, DivK1c_001130, SCHEMBL237972, ACMC-209n66, m-Benzenediacetonitrile (8CI), CTK2F5039, HMS548E02, DTXSID10211645, 1,3-Benzenediacetonitrile (9CI), ZINC135700, 1,3-Phenylenediacetonitrile, 98%, KS-000013VP, NSC77095, (3-Cyanomethyl-phenyl)-acetonitrile, ANW-34300, CCG-48284, NSC-77095, AKOS015917455, FCH1115793, LS11280, MCULE-7302339936, TRA0055950, 2-[3-(cyanomethyl)phenyl]ethanenitrile, CDS1_000090, AJ-12281, AK-54643, AN-46853, AS-19261, LS-13305, AX8140562, RT-001383, TL8004213, AM20040894, FT-0606572, ST24027220, ST50824569, X6088, I14-9772, SR-01000637839-1, 1,3-Bis(cyanomethyl)benzene; 1,3-Benzenediacetonitrile, InChI=1/C10H8N2/c11-6-4-9-2-1-3-10(8-9)5-7-12/h1-3,8H,4-5H, 1,3-Bis-(cyanomethyl)-benzene, C10H8N2, KST-1B6764, CID69375, AR-1B6450, C10-H8-N2, A8658, X0002, 3-09-00-04294 (Beilstein Handbook Reference), 1,3-Phenylenediacetonitrile, 99% - 25G 25g, 6368-90-7,

Complexity	203
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	1.3

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	\N

Certificate of Analysis

Lot Number