4'-Butyl-4-biphenylcarbonitrile - CAS 52709-83-8

Catalog:	BB053691
Product Name:	4'-Butyl-4-biphenylcarbonitrile
CAS:	52709-83-8
Synonyms:	4-N-BUTYL-4'-CYANOBIPHENYL; 4'-N-BUTYLBIPHENYL-4-CARBONITRILE; 4'-BUTYL-4-BIPHENYLCARBONITRILE; 4-BUTYL-4'-CYANOBIPHENYL; 4CB; 4-CYANO-4'-BUTYL BIPHENYL

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	4-(4-butylphenyl)benzonitrile
Molecular Weight:	235.32
Molecular Formula:	C17H17N
Canonical SMILES:	CCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C#N
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
Boiling Point:	380.9±31.0 °C at 760 mmHg
Melting Point:	49-51°C
Purity:	>98% by GC
Density:	1.0±0.1 g/cm3
Solubility:	soluble in Methanol
Appearance:	White Powder
MDL:	MFCD00506009
Refractive Index:	1.59

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Complexity:	271
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	235.136099547
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	235.136099547
Rotatable Bond Count:	4
Topological Polar Surface Area:	23.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	5.1