4-Cyano-4'-pentylterphenyl - CAS 54211-46-0

Catalog:	BB053697
Product Name:	4-Cyano-4'-pentylterphenyl
CAS:	54211-46-0
Synonyms:	1':4',1''-terphenyl]-4-carbonitrile,4''-pentyl-[; 1':4',1''-Terphenyl]-4-carbonitrile,4''-pentyl-[1; 4-pentylcyaterphenyl; RO-CB-5515; RO-CM-5515; T15; 4-[4-(4-pentylphenyl)phenyl]benzonitrile; 4''-N-PENTYL-1,1':4',1''-TERPHENYL-4-CARBONITRILE

Technical Data

IUPAC Name:	4-[4-(4-pentylphenyl)phenyl]benzonitrile
Molecular Weight:	325.45
Molecular Formula:	C24H23N
Canonical SMILES:	CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N
InChI:	InChI=1S/C24H23N/c1-2-3-4-5-19-6-10-21(11-7-19)23-14-16-24(17-15-23)22-12-8-20(18-25)9-13-22/h6-17H,2-5H2,1H3
InChI Key:	AITQOXOBSMXBRV-UHFFFAOYSA-N
Boiling Point:	508.7±39.0 °C at 760 mmHg
Melting Point:	130 °C
Purity:	>98% by GC
Density:	1.1±0.1 g/cm3
Appearance:	White Powder
MDL:	MFCD00799423
Refractive Index:	1.53

Complexity:	409
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	325.183049738
Formal Charge:	0
Heavy Atom Count:	25
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	325.183049738
Rotatable Bond Count:	6
Topological Polar Surface Area:	23.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	7