AG002XO7

2920-38-9 | [1,1'-Biphenyl]-4-carbonitrile

AG002XO7

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CAS Number	2920-38-9
Catalog Number	AG002XO7(AGN-PC-0JKDTT)
Chemical Name	[1,1'-Biphenyl]-4-carbonitrile
EC Number	220-860-2
IUPAC Name	4-phenylbenzonitrile
InChI	InChI=1S/C13H9N/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H
InChI Key	BPMBNLJJRKCCRT-UHFFFAOYSA-N
MDL Number	MFCD00001821
Molecular Formula	C13H9N
Molecular Weight	179.2173
NSC Number	176013
SMILES	N#CC1=CC=C(C2=CC=CC=C2)C=C1
Synonyms	4-CYANOBIPHENYL, 2920-38-9, 4-Phenylbenzonitrile, [1,1'-Biphenyl]-4-carbonitrile, 4-Biphenylcarbonitrile, p-Phenylbenzonitrile, p-Cyanobiphenyl, Biphenyl-4-carbonitrile, 4-phenylbenzenecarbonitrile, 4-Biphenylcarboxylic acid nitrile, BPMBNLJJRKCCRT-UHFFFAOYSA-N, (1,1'-Biphenyl)-4-carbonitrile, MFCD00001821, 27104-69-4, 4-Cyanodiphenyl, 4-cyano-biphenyl, EINECS 220-860-2, NSC176013, 4-phenyl-benzonitrile, NSC 176013, ACMC-1CDMQ, EC 220-860-2, AC1L2B6Q, AC1Q4R2T, 4-Phenylbenzonitrile, 95%, SCHEMBL72569, DTXSID0062713, CTK1A4256, ACT08124, STR02867, ZINC1720496, ANW-26566, SBB063992, STK028923, AKOS005380867, LS11868, MCULE-2683508813, NSC-176013, RTR-012748, TRA0060263, KS-00000H26, AC-18311, AJ-30985, AK-48118, CJ-29214, Q232, TL8002299, TR-012748, FT-0618301, ST24050383, ST50825140, EN300-70788, C-4781, 920C389, A819806, I01-3573, W-106999, Z57900333, InChI=1/C13H9N/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9, C13H9N, C13-H9-N, CID18021, c1299, 4-Cyanobiphenyl, 99% - 25G 25g, ACN-038450,

Complexity	211
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	179.073g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	179.222g/mol
Monoisotopic Mass	179.073g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302+H312-H331
Packing Group	Ⅲ
Precautionary statements	P261-P302+P352
Signal Words	danger
UN Code	UN 3439

Certificate of Analysis

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