AG003PPC

86-29-3 | 2,2-Diphenylacetonitrile

AG003PPC

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CAS Number	86-29-3
Catalog Number	AG003PPC(AGN-PC-0V3ROP)
Chemical Name	2,2-Diphenylacetonitrile
EC Number	201-662-5
IUPAC Name	2,2-diphenylacetonitrile
InChI	InChI=1S/C14H11N/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H
InChI Key	NEBPTMCRLHKPOB-UHFFFAOYSA-N
MDL Number	MFCD00001862
Molecular Formula	C14H11N
Molecular Weight	193.2438
SMILES	N#CC(C1=CC=CC=C1)C2=CC=CC=C2
UNII	QK4W106TKU
Synonyms	DIPHENYLACETONITRILE, 86-29-3, 2,2-diphenylacetonitrile, Dipan, Diphenatrile, Benzhydrylcyanide, Diphenylmethylcyanide, Benzyhydrylcyanide, Difenylacetonitril, benzhydryl cyanide, Acetonitrile, diphenyl-, Diphenyl-alpha-cyanomethane, Diphenylmethyl cyanide, Benzeneacetonitrile, alpha-phenyl-, USAF KF-13, alpha-Phenylphenylacetonitrile, alpha-Phenylbenzeneacetonitrile, Caswell No. 396, Benzeneacetonitrile, .alpha.-phenyl-, alpha-Phenylbenzylcyanide, alpha-Cyanodiphenylmethane, Difenylacetonitril [Czech], UNII-QK4W106TKU, NSC 130268, EINECS 201-662-5, MFCD00001862, .alpha.-Phenylbenzylcyanide, EPA Pesticide Chemical Code 037901, BRN 1911160, QK4W106TKU, Diphenyl-.alpha.-cyanomethane, AI3-17436, .alpha.-Phenylphenylacetonitrile, NEBPTMCRLHKPOB-UHFFFAOYSA-N, AK114697, DSSTox_CID_539, WLN: NCYR&R, Diphenylacetonitrile, 99+%, DSSTox_RID_75648, DSSTox_GSID_20539, AE-641/03255011, Q-201006, CAS-86-29-3, diphenyl-acetonitrile, Diphenyl acetonitrile, PubChem21436, AC1L1NEV, AC1Q4QPZ, 2,2-diphenylethanenitrile, alpha-Phenylbenzyl cyanide, 2,2-diphenyl-acetonitrile, Diphenylacetonitrile, 98%, .alpha.-Cyanodiphenylmethane, TimTec1_003810, KSC448E1T, SCHEMBL181005, ACMC-209q99, NSC884, CHEMBL3185477, DTXSID4020539, CTK3E8219, NSC-884, .alpha.-Phenyl-benzeneacetonitrile, HMS1544N04, KS-00000EF0, ZINC3860898, Tox21_201556, Tox21_302854, ANW-38299, NSC130268, STK700770, AKOS000120009, AM90235, CS-W015768, LS-7365, LS40574, MCULE-5798396210, NSC-130268, RTR-026880, NCGC00249068-01, NCGC00256362-01, NCGC00259105-01, AC-25261, AJ-46077, AN-42339, AS-12052, BP-12820, CJ-10900, OR322027, ST052000, SY008506, TL806381, AB1002708, AX8015213, TR-026880, D0261, FT-0625250, ST24027252, MFCD00001862 (98%), C-58481, SR-01000393862, SR-01000393862-1, BRD-K12971880-001-01-6, A0770/0036009, InChI=1/C14H11N/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14, null, C14H11N, CID6837, AR-1I6075, C14-H11-N, ACN-048097, Diphenylacetonitrile, 99% - 100G 100g, 4-09-00-02505 (Beilstein Handbook Reference), 100-41-4, 92569-54-5,

Complexity	207
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	193.089g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	193.249g/mol
Monoisotopic Mass	193.089g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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