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112127

Sigma-Aldrich

Diphenylacetonitrile

98%

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About This Item

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

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

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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.

Pictograms

Environment
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

Certificates of Analysis (COA)

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Preparation of diphenylacetonitrile.
W B REID et al.
Journal of the American Chemical Society, 70(10), 3515-3515 (1948-10-01)
S M De Baere et al.
Journal of analytical toxicology, 20(3), 159-164 (1996-05-01)
A sensitive gas chromatographic procedure with nitrogen-phosphorus detection was developed for the quantitative determination of 3-cyano-3,3-diphenylpropionic acid, the acidic metabolite of the narcotic analgesic bezitramide (Burgodin). Gas chromatography with mass spectrometric detection was used for confirmation. An internal standard, 5-cyano-5,5-diphenylvaleric

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