171573

3-Phenylpropionitrile

99%

• Synonym(s): Hydrocinnamonitrile
• Linear Formula: C₆H₅CH₂CH₂CN
• CAS Number: 645-59-0
• Molecular Weight: 131.17
• Beilstein/REAXYS Number: 636348
• EC Number: 211-447-8
• MDL number: MFCD00001961
• UNSPSC Code: 12352100
• PubChem Substance ID: 24850382
• NACRES: NA.22

Properties

• Quality Level: 100
• assay: 99%
• form: liquid
• refractive index: n20/D 1.521 (lit.)
• bp: 113 °C/9 mmHg (lit.)
• mp: −2-−1 °C (lit.)
• density: 1.001 g/mL at 25 °C (lit.)
• functional group: nitrile; phenyl
• SMILES string: N#CCCc1ccccc1
• InChI: 1S/C9H9N/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7H2
• InChI key: ACRWYXSKEHUQDB-UHFFFAOYSA-N

Description

General description

The effect of 3-Phenylpropionitrile on the growth and survival of woodlouse Porcellio scaber has been studied.

Application

3-Phenylpropionitrile was used to study the free enzyme activity of nitrilase AtNIT1.

Safety Information

• pictograms: GHS06
• signalword: Danger
• hcodes: H301
• pcodes: P264 - P270 - P301 + P310 - P405 - P501
• Hazard Classifications: Acute Tox. 3 Oral
• Storage Class: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• wgk_germany: WGK 3
• flash_point_f: 230.0 °F - closed cup
• flash_point_c: 110 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter