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377937

Sigma-Aldrich

3-Nitrophenylacetonitrile

99%

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About This Item

Linear Formula:
O2NC6H4CH2CN
CAS Number:
621-50-1
Molecular Weight:
162.15
EC Number:
210-689-1
MDL number:
MFCD00041249
UNSPSC Code:
12352100
PubChem Substance ID:
24863530
NACRES:
NA.22

assay

99%

bp

180 °C/3 mmHg (lit.)

mp

60-62 °C (lit.)

SMILES string

[O-][N+](=O)c1cccc(CC#N)c1

InChI

1S/C8H6N2O2/c9-5-4-7-2-1-3-8(6-7)10(11)12/h1-3,6H,4H2

InChI key

WAVKEPUFQMUGBP-UHFFFAOYSA-N

Related Categories

General description

3-Nitrophenylacetonitrile is a builing block. Reactions of 3-nitrophenylacetonitrile with isopropyl alcohol, cyclohexyl alcohol and benzyl alcohol at high temperature have been reported.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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Carbon-carbon bond cleavage and esterification of phenylacetonitrile and its derivatives affording the corresponding benzoic esters.
Wang Z, et al.
J. Chem. Res. (M), 2007(6), 323-324 (2007)

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