AG003LTI

52709-83-8 | 4'-Butyl-[1,1'-biphenyl]-4-carbonitrile

AG003LTI

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CAS Number	52709-83-8
Catalog Number	AG003LTI(AGN-PC-0JLE8L)
Chemical Name	4'-Butyl-[1,1'-biphenyl]-4-carbonitrile
EC Number	258-119-0
IUPAC Name	4-(4-butylphenyl)benzonitrile
InChI	InChI=1S/C17H17N/c1-2-3-4-14-5-9-16(10-6-14)17-11-7-15(13-18)8-12-17/h5-12H,2-4H2,1H3
InChI Key	PJPLBHHDTUICNN-UHFFFAOYSA-N
MDL Number	MFCD00506009
Molecular Formula	C17H17N
Molecular Weight	235.3236
SMILES	N#CC1=CC=C(C2=CC=C(CCCC)C=C2)C=C1
Synonyms	52709-83-8, 4'-Butyl-[1,1'-Biphenyl]-4-carbonitrile, 4-BUTYL-4'-CYANOBIPHENYL, 4'-Butyl-4-biphenylcarbonitrile, 4-Cyano-4'-butylbiphenyl, [1,1'-Biphenyl]-4-carbonitrile, 4'-butyl-, 4-N-Butyl-4'-cyanobiphenyl, 4-(4-butylphenyl)benzonitrile, 4'-Butylbiphenyl-4-carbonitrile, FR-2338, AK-50741, 4'-Butyl[1,1'-biphenyl]-4-carbonitrile, 4'-Butyl-4-cyanobiphenyl, (1,1'-Biphenyl)-4-carbonitrile, 4'-butyl-, 4-(4-butylphenyl)benzenecarbonitrile, 4'-Butyl(1,1'-biphenyl)-4-carbonitrile, C17H17N, EINECS 258-119-0, PubChem2523, ACMC-209wth, AC1L2WHF, AC1Q4RR7, 4-butyl-4'-cyanobiphenyl;, 4-cyano-4'-n-butylbiphenyl, 4'-n-Butyl-4-cyanobiphenyl, 4-Cyano-4'-Butyl Biphenyl, SCHEMBL2034343, 4-BUTYL-4-CYANOBIPHENYL, DTXSID0068785, PJPLBHHDTUICNN-UHFFFAOYSA-N, KS-00000IA3, ZINC2135314, ZX-AT016836, ANW-46803, CB-140, MFCD00506009, SBB008623, AKOS015836413, AS04544, EBD2224573, MCULE-7351550790, RL03944, RTR-018682, TRA0072040, ACM52709838, AJ-33518, AN-40898, CC-18542, CJ-32850, DS-15530, AX8016657, DB-009036, TL8003466, TR-018682, 4'-Butyl[1,1'-biphenyl]-4-carbonitrile #, FT-0640097, ST24028635, ST50825851, V0462, 709B838, C-13909, J-514850, 4'-n-Butyl-4-biphenylcarbonitrile 4-(4-n-Butylphenyl)benzonitrile C17H17N 235.33 49-51 degrees 210-212 degrees /2mm 52709-83-8 258-119-0 MFCD00506009 UN3439 6.1 Y, 4-n-pentyl-4'-cyanobiphenyl, AR-1G2000, C17-H17-N, CID104288, ZINC02135314, 4-Butyl-4'-cyanobiphenyl, 98% - 1G 1g, B4923, 4-n-Butyl-4 inverted exclamation marka-cyanobiphenyl, 4CB, 52709-84-9, 53815-74-0,

Complexity	271
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	235.136g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	235.33g/mol
Monoisotopic Mass	235.136g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H317-H319
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 3439

Certificate of Analysis

Lot Number