AG003L8X

58743-75-2 | 4'-Ethyl-[1,1'-biphenyl]-4-carbonitrile

AG003L8X

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CAS Number	58743-75-2
Catalog Number	AG003L8X(AGN-PC-0JM0ED)
Chemical Name	4'-Ethyl-[1,1'-biphenyl]-4-carbonitrile
EC Number	261-414-7
IUPAC Name	4-(4-ethylphenyl)benzonitrile
InChI	InChI=1S/C15H13N/c1-2-12-3-7-14(8-4-12)15-9-5-13(11-16)6-10-15/h3-10H,2H2,1H3
InChI Key	DLLIPJSMDJCZRF-UHFFFAOYSA-N
MDL Number	MFCD00799420
Molecular Formula	C15H13N
Molecular Weight	207.2704
SMILES	N#CC1=CC=C(C2=CC=C(CC)C=C2)C=C1
Synonyms	58743-75-2, 4-Cyano-4'-ethylbiphenyl, 4'-Ethyl-[1,1'-biphenyl]-4-carbonitrile, 4-ethyl-4'-cyanobiphenyl, 4-(4-ethylphenyl)benzonitrile, [1,1'-Biphenyl]-4-carbonitrile, 4'-ethyl-, 4'-ethylbiphenyl-4-carbonitrile, DLLIPJSMDJCZRF-UHFFFAOYSA-N, AK-50746, (1,1'-Biphenyl)-4-carbonitrile, 4'-ethyl-, 4-(4-ethylphenyl)benzenecarbonitrile, EINECS 261-414-7, PubChem2521, 4'-ethyl-4-cyanobiphenyl, 4-Cyano-4`-EthylBiphenyl, AC1L3R3T, 4-Cyano-4'-ethylbiphenyl;, SCHEMBL4651866, DTXSID2069284, 4'-Ethyl-4-biphenylcarbonitrile, CTK3J0874, EBD28234, ZINC1260186, ZX-AT016834, ANW-33027, CE-060, MFCD00799420, SBB059226, AKOS015842827, AS04542, MCULE-3720079670, RL04214, TRA0057050, AJ-25285, AN-39717, CC-19117, SC-58052, ZB016207, 4'-Ethyl(1,1'-biphenyl)-4-carbonitrile, AX8006870, DB-009030, ST2417852, TC-040218, TC-121772, TL8003759, 4'-Ethyl[1,1'-biphenyl]-4-carbonitrile #, FT-0618288, ST50825554, V0463, A24014, 743C752, C-10456, I01-2512, J-515280, 4'-Ethyl-4-biphenylcarbonitrile 4-(4-Ethylphenyl)benzonitrile C15H13N 207.27 74-76 degrees 202-205 degrees /3mm 58743-75-2 261-414-7 MFCD00799420 UN3439 6.1 Y, 4-ethyl-4-cyanobiphenyl, C15H13N, 4-(4-Ethylcyclohexyl)benzonitrile, 4-(4-Propylcyclohexyl)benzonitrile, CID93890, C15-H13-N, ZINC01260186, 4'-Ethyl[1,1'-biphenyl]-4-carbonitrile, C2892, 4-Cyano-4 inverted exclamation marka-ethylbiphenyl, 73592-81-1,

Complexity	246
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	207.105g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	207.276g/mol
Monoisotopic Mass	207.105g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302+H312-H315-H319-H331-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338-P311
UN Code	UN 3439

Certificate of Analysis

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