AG003F0R

4414-88-4 | (2-Benzimidazolyl)acetonitrile

AG003F0R

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CAS Number	4414-88-4
Catalog Number	AG003F0R(AGN-PC-0JKFAQ)
Chemical Name	(2-Benzimidazolyl)acetonitrile
EC Number	224-574-9
IUPAC Name	2-(1H-benzimidazol-2-yl)acetonitrile
InChI	InChI=1S/C9H7N3/c10-6-5-9-11-7-3-1-2-4-8(7)12-9/h1-4H,5H2,(H,11,12)
InChI Key	BWOVACANEIVHST-UHFFFAOYSA-N
MDL Number	MFCD00005601
Molecular Formula	C9H7N3
Molecular Weight	157.1720
NSC Number	525203
SMILES	C(C#N)c1nc2c([nH]1)cccc2
UNII	0AN9A7OY6F
Synonyms	4414-88-4, (2-Benzimidazolyl)acetonitrile, 2-(Cyanomethyl)benzimidazole, 1H-Benzimidazole-2-acetonitrile, 2-BENZIMIDAZOLEACETONITRILE, 2-Benzimidazolylacetonitrile, 2-Cyanomethylbenzimidazole, 1H-Benzimidazol-2-ylacetonitrile, 2-Kyanmethylbenzimidazol, Benzimidazole, 2-cyanomethyl-, 2-(1H-benzo[d]imidazol-2-yl)acetonitrile, Acetonitrile, 2-benzimidazolyl-, 2-(1H-1,3-benzodiazol-2-yl)acetonitrile, 2-Kyanmethylbenzimidazol [Czech], (1H-Benzoimidazol-2-yl)-acetonitrile, (Benzimidazol-2-yl)ethanenitrile, EINECS 224-574-9, UNII-0AN9A7OY6F, NSC 525203, BRN 0128461, 0AN9A7OY6F, 2-benzimidazol-2-ylethanenitrile, BWOVACANEIVHST-UHFFFAOYSA-N, (1H-Benzoimidazol-2-yl)acetonitrile, MFCD00005601, 2-(1H-benzimidazol-2-yl)acetonitrile, 2-Kyanmethylbenzimidazol [Czech], PubChem7544, ACMC-209jwk, Benzimidazolylacetonitrile, Enamine_003017, AC1L2GAS, benzimidazole-2-acetonitrile, 2-Benzoimidazolylacetonitrile, Oprea1_467984, SCHEMBL76988, 5-25-04-00286 (Beilstein Handbook Reference), KSC235O1F, 2-(benzimidazolyl)acetonitrile, ARONIS020221, DTXSID5063445, CTK1D5712, KS-00000DDA, KS-00004BZP, WLN: T56 BM DNJ C1CN, 2-(Cyanomethyl)-1H-benzimidazole, HMS1402J03, ZINC567931, ACT02025, ALBB-010071, STR02009, ZERO/005566, (1H-Benzimidazol-2-yl)acetonitrile, 1H-Benzimidazol-2-ylacetonitrile #, ANW-30066, BBL001456, GEO-00258, NSC525203, RW3281, SBB013483, STK009078, (2-Benzimidazolyl)acetonitrile, 97%, AKOS000275416, CS-W008228, FS-1339, MCULE-9745028180, NSC-525203, QC-1934, RTC-069674, TRA0055582, VI10093, 1H-1,3-benzimidazol-2-ylmethyl cyanide, AC-12169, AJ-23523, AK-45709, BAS 00031930, BP-12402, BR-45709, CJ-04348, LS-32599, SC-46642, ST018481, SY020970, ZB014443, DB-013295, ST2407875, TC-069674, AM20050364, B2821, BB 0219164, FT-0083367, FT-0619704, S-1682, MFCD00005601 (97+%), 414C884, SR-01000389032, I01-0070, Q-101099, SR-01000389032-1, Z56828358, F0266-2601, C9H7N3, C9-H7-N3, CID20455, ACN-038717, 1H-Benzimidazole-2-acetonitrile (9CI), 2-Cyanomethylbenzimidazole, 99% - 25G 25g,

Complexity	205
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	157.064g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	157.176g/mol
Monoisotopic Mass	157.064g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	52.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number