AG00DDTJ

52709-84-9 | 4'-Octyl[1,1'-biphenyl]-4-carbonitrile

AG00DDTJ

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CAS Number	52709-84-9
Catalog Number	AG00DDTJ(AGN-PC-0JLE8M)
Chemical Name	4'-Octyl[1,1'-biphenyl]-4-carbonitrile
EC Number	258-120-6
IUPAC Name	4-(4-octylphenyl)benzonitrile
InChI	InChI=1S/C21H25N/c1-2-3-4-5-6-7-8-18-9-13-20(14-10-18)21-15-11-19(17-22)12-16-21/h9-16H,2-8H2,1H3
InChI Key	CSQPODPWWMOTIY-UHFFFAOYSA-N
MDL Number	MFCD00075146
Molecular Formula	C21H25N
Molecular Weight	291.4299
SMILES	N#CC1=CC=C(C2=CC=C(CCCCCCCC)C=C2)C=C1
Synonyms	4'-octyl-4-cyanobiphenyl, 4-n-octyl-4'-cyanobiphenyl, 52709-84-9, 4-Cyano-4'-octylbiphenyl, 4'-Octyl-[1,1'-biphenyl]-4-carbonitrile, [1,1'-Biphenyl]-4-carbonitrile, 4'-octyl-, 4-Octylcyanodiphenyl, 4-(4-octylphenyl)benzonitrile, K 24 (liquid crystal), 4'-Octyl[1,1'-biphenyl]-4-carbonitrile, 80BF, CB 8, K 24, 4'-Octyl-4-biphenylcarbonitrile, EINECS 258-120-6, 4-Octyl-4'-cyanobiphenyl, BRN 1913854, 4-cyano-4'-n-octylbiphenyl, 4'-Octyl-(1,1'-biphenyl)-4-carbonitrile, (1,1'-Biphenyl)-4-carbonitrile, 4'-octyl-, 8CB, FR-2221, AK132999, 4'-Octyl(1,1'-biphenyl)-4-carbonitrile, W-105804, 4-(4-octylphenyl)benzenecarbonitrile, ACMC-20ambx, PubChem9082, AC1L2WHI, AC1Q4RR9, 4-n-octyl-4'-cyanobiphenyl, SCHEMBL1325933, DTXSID5068786, CTK4J6331, KS-00000JGG, CSQPODPWWMOTIY-UHFFFAOYSA-N, 4'-n-Octyl-4-biphenylcarbonitrile, 4'-n-Octylbiphenyl-4-carbonitrile, ZINC2149546, ZX-AT020483, MFCD00075146, SBB008530, AKOS015839931, AS-2700, MCULE-5687167926, OR13989, RL03945, 4-Octyl[1,1-biphenyl]-4-carbonitrile, AN-40899, LS-44211, 4-Octyl-[1,1'-biphenyl]-4'-carbonitrile, AX8021232, TL8003467, TR-036982, [1,1'-Biphenyl]-4-carbonitrile,4'-octyl-, 4'-Octyl[1,1'-biphenyl]-4-carbonitrile #, 4\'-Octyl[1,1\'-biphenyl]-4-carbonitrile, FT-0618292, ST50827289, V1396, 709C849, 4'-Octyl-4-biphenylcarbonitrile, liquid crystal (nematic), 98%, 4-Cyano-4'-n-octylbiphenyl C21H25N 291.43 20-22 degrees >110 degrees (230 degrees F) 52709-84-9 258-120-6 MFCD00075146 DV1764400 Y, C21H25N, 4'-Octyl-biphenyl-4-carbonitrile, 4-BUTYL-4'-CYANOBIPHENYL, AR-1G2006, C21-H25-N, CID104289, C3156, 4'-n-Octylbiphenyl-4-carbonitrile, 99% - 1G 1g, 121479-48-9, 53817-09-7,

Complexity	323
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	291.199g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	291.438g/mol
Monoisotopic Mass	291.199g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	7.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H312+H332-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number