112127

Diphenylacetonitrile

98%

• Linear Formula: (C₆H₅)₂CHCN
• CAS Number: 86-29-3
• Molecular Weight: 193.24
• Beilstein: 1911160
• EC Number: 201-662-5
• MDL number: MFCD00001862
• UNSPSC Code: 12352100
• PubChem Substance ID: 24847068
• NACRES: NA.22

Properties

• Assay: 98%
• form: solid
• bp: 181 °C/12 mmHg (lit.)
• mp: 71-73 °C (lit.)
• SMILES string: N#CC(c1ccccc1)c2ccccc2
• InChI: 1S/C14H11N/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H
• InChI key: NEBPTMCRLHKPOB-UHFFFAOYSA-N

Description

General description

Diphenylacetonitrile can be prepared in good yield by the dehydration of the amide of diphenyl acetic acid with phosphorous oxychloride.

Application

Diphenylacetonitrile undergoes anhydrous condensation with ethyl-4-bromo-butyrate. This is followed by its hydrolysis in alkaline medium that is used in the quantitative determination of 3-cyano-3,3-diphenylpropionic acid.

Safety Information

• Pictograms: GHS09
• Hazard Statements: H411
• Precautionary Statements: P273 - P391 - P501
• Hazard Classifications: Aquatic Chronic 2
• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 2
• Flash Point(F): 245.5 °F - Pensky-Martens closed cup
• Flash Point(C): 118.6 °C - Pensky-Martens closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves