4-Propoxy-[1,1'-biphenyl]-4'-carbonitrile

Catalog Number

52709-86-1

CAS

52709-86-1

IUPAC Name

4-(4-propoxyphenyl)benzonitrile

Synonyms

3OCB; 4'-PROPOXY-BIPHENYL-4-CARBONITRILE; 4-PROPOXY-4'-CYANOBIPHENYL; 4-CYANO-4'-PROPYLOXYBIPHENYL; AKOS BAR-2141; 1'-biphenyl)-4-carbonitrile,4'-propoxy-(

Molecular Weight

237.30

Molecular Formula

C16H15NO

Product Information

Purity

95%

MDL

MFCD00183206

Physical State

Solid

Appearance

White to Almost white powder to crystal

Storage

Sealed in dry. Room temperature.

Boiling Point

393.1ºC at 760 mmHg

Melting Point

73 °C

Density

1.1 g/cm3

Solubility

soluble in Toluene

Refractive Index

1.59

Safety Information

Signal Word

Warning

Precautionary Statement

P501 : Dispose of contents/ container to an approved waste disposal plant.P273 : Avoid release to the environment.P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.

Hazard Statements

H315 : Causes skin irritation.H319 : Causes serious eye irritation.H413 : May cause long lasting harmful effects to aquatic life.

Canonical SMILES

CCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C16H15NO/c1-2-11-18-16-9-7-15(8-10-16)14-5-3-13(12-17)4-6-14/h3-10H,2,11H2,1H3

InChI Key

RZCQJZFWJZHMPK-UHFFFAOYSA-N