AG00BZGL

41122-70-7 | 4'-HEXYL-4-BIPHENYLCARBONITRILE

AG00BZGL

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CAS Number	41122-70-7
Catalog Number	AG00BZGL(AGN-PC-0JKQH8)
Chemical Name	4'-HEXYL-4-BIPHENYLCARBONITRILE
EC Number	255-228-5
IUPAC Name	4-(4-hexylphenyl)benzonitrile
InChI	InChI=1S/C19H21N/c1-2-3-4-5-6-16-7-11-18(12-8-16)19-13-9-17(15-20)10-14-19/h7-14H,2-6H2,1H3
InChI Key	VADSDVGLFDVIMG-UHFFFAOYSA-N
MDL Number	MFCD00075144
Molecular Formula	C19H21N
Molecular Weight	263.3767
SMILES	N#CC1=CC=C(C2=CC=C(CCCCCC)C=C2)C=C1
Synonyms	41122-70-7, 4-Hexyl-4'-cyanobiphenyl, 4-Cyano-4'-hexylbiphenyl, 4'-Hexyl-4-biphenylcarbonitrile, 4'-hexylbiphenyl-4-carbonitrile, 4-N-HEXYL-4'-CYANOBIPHENYL, 4'-Hexyl-[1,1'-biphenyl]-4-carbonitrile, CCRIS 6044, [1,1'-Biphenyl]-4-carbonitrile, 4'-hexyl-, EINECS 255-228-5, 4-(4-hexylphenyl)benzonitrile, (1,1'-Biphenyl)-4-carbonitrile, 4'-hexyl-, C19H21N, VADSDVGLFDVIMG-UHFFFAOYSA-N, 1,1'-Biphenyl, 4-cyano-4'-hexyl-, FR-2321, 4-Hexyl-[1,1-biphenyl]-4-carbonitrile, 4'-Hexyl(1,1'-biphenyl)-4-carbonitrile, W-106319, 4-(4-hexylphenyl)benzenecarbonitrile, 6CB, 4-hexyl-4-cyanobiphenyl, DSSTox_CID_5404, DSSTox_RID_77774, DSSTox_GSID_25404, SCHEMBL20700, 4-Cyano-4'-n-hexylbiphenyl, MLS001056208, AC1L20G8, CHEMBL1442113, DTXSID4025404, 4'-Hexyl-4-diphenylcarbonitrile, ZINC2149541, Tox21_201123, MFCD00075144, SBB008608, 4-HEXYL-4-BIPHENYLCARBONITRILE, AKOS015839944, AS04546, LS-1254, MCULE-6284004194, RL03587, VZ35425, ACM41122707, NCGC00091405-01, NCGC00091405-02, NCGC00091405-03, NCGC00258675-01, AJ-33640, AK-50727, CC-19395, CJ-33072, SC-90790, SMR001216569, AX8009041, CAS-41122-70-7, TR-016352, [1,1'-Biphenyl]-4-carbonitrile,4'-hexyl-, 4'-Hexyl[1,1'-biphenyl]-4-carbonitrile #, FT-0618289, ST50826005, Z5521, C-16474, I14-9067, 4 inverted exclamation marka-Hexyl-4-biphenylcarbonitrile, 4'-Hexyl-4-biphenylcarbonitrile, liquid crystal (nematic), 98%, 4-n-Hexylbiphenyl-4'-carbonitrile C19H21N 263.38 113 degrees (235 degrees F) 41122-70-7 255-228-5 MFCD00075144 Y, 4'-Hexyl-biphenyl-4-carbonitrile, CID38764, C19-H21-N, 4'-Hexyl[1,1'-biphenyl]-4-carbonitrile, C3154,

Complexity	297
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	263.167g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	263.384g/mol
Monoisotopic Mass	263.167g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	6.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335-H413
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number