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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

Quality Level

200

Assay

98%

form

solid

bp

181 °C/12 mmHg (lit.)

mp

71-73 °C (lit.)

functional group

nitrile
phenyl

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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

PDSCL

Deleterious substance

JAN Code

112127-5G:4548173103044
112127-500G:4548173103037
112127-VAR:
112127-BULK:
112127-10KG:
112127-1KG:
112127-100G:4548173103020

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Certificates of Analysis (COA)

Lot/Batch Number
STBK4698
STBJ2615
STBJ1863
STBD6582V
STBD1644V

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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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