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112127

Diphenylacetonitrile

Name: Diphenylacetonitrile
Brand: ALDRICH

98%

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About This Item

Linear Formula:

(C₆H₅)₂CHCN

CAS Number:

86-29-3

Molecular Weight:

193.24

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

24847068

EC Number:

201-662-5

Beilstein/REAXYS Number:

1911160

MDL number:

MFCD00001862

Assay:

98%

Form:

solid

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Properties

Quality Segment

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

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.

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Hazard Classifications

Aquatic Chronic 2

Storage Class

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

ppe

dust mask type N95 (US), Eyeshields, Gloves

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