222739

2-Phenylbutyronitrile

95%

• Synonym(s): α-Ethylphenylacetonitrile
• Linear Formula: C₆H₅CH(CH₂CH₃)CN
• CAS Number: 769-68-6
• Molecular Weight: 145.20
• EC Number: 212-213-8
• MDL number: MFCD00001876
• UNSPSC Code: 12352100
• PubChem Substance ID: 24853353
• NACRES: NA.22

Properties

• Assay: 95%
• refractive index: n20/D 1.5086 (lit.)
• bp: 114-115 °C/15 mmHg (lit.)
• density: 0.974 g/mL at 25 °C (lit.)
• functional group: nitrile; phenyl
• SMILES string: CCC(C#N)c1ccccc1
• InChI: 1S/C10H11N/c1-2-9(8-11)10-6-4-3-5-7-10/h3-7,9H,2H2,1H3
• InChI key: IZPUPXNVRNBDSW-UHFFFAOYSA-N

Description

Application

2-Phenylbutyronitrile was used in the preparation of Michael-adducts. It was also used in the preparation of S-amides by nitrile hydratase.

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H302 + H312 + H332
• Precautionary Statements: P261 - P264 - P280 - P301 + P312 - P302 + P352 + P312 - P304 + P340 + P312
• Hazard Classifications: Acute Tox. 4 Oral
• Storage Class Code: 10 - Combustible liquids
• WGK: WGK 3
• Flash Point(F): 221.0 °F - closed cup
• Flash Point(C): 105 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves