structure of 2,2'-([1,1':4',1''-Terphenyl]-4,4''-diyl)diacetonitrile

2,2'-([1,1':4',1''-Terphenyl]-4,4''-diyl)diacetonitrile

CAS No.: 1000559-50-1
M. Wt: 308.38
M. Fa: C22H16N2
InChI Key: LOOBBJAIFIHGAO-UHFFFAOYSA-N
Appearance: Pale-gray Solid

Names and Identifiers of 1000559-50-1

CAS Number

1000559-50-1

IUPAC Name

2-[4-[4-[4-(cyanomethyl)phenyl]phenyl]phenyl]acetonitrile

InChI

InChI=1S/C22H16N2/c23-15-13-17-1-5-19(6-2-17)21-9-11-22(12-10-21)20-7-3-18(4-8-20)14-16-24/h1-12H,13-14H2

InChIKey

LOOBBJAIFIHGAO-UHFFFAOYSA-N

Canonical SMILES

C1=CC(=CC=C1CC#N)C2=CC=C(C=C2)C3=CC=C(C=C3)CC#N

Physical and chemical properties of 1000559-50-1

Boiling Point

556.2±50.0 °C(Predicted)

Density

1.132±0.06 g/cm3(Predicted)

Exact Mass

308.131348

Flash Point

268.7±24.0 °C

Index of Refraction

1.609

LogP

4.09

Molecular Formula

C22H16N2

Molecular Weight

308.38

Storage condition

2-8℃

Vapour Pressure

0.0±1.5 mmHg at 25°C

Physical sample testing spectrum (NMR) of 1000559-50-1

Physical sample testing spectrum (NMR) of 1000559-50-1