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Sigma-Aldrich

2-Cyanophenylacetonitrile

97%

Synonym(s):

α-Cyano-o-tolunitrile, Homophthalonitrile

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About This Item

Linear Formula:
NCC6H4CH2CN
CAS Number:
3759-28-2
Molecular Weight:
142.16
EC Number:
223-167-3
MDL number:
MFCD00001895
UNSPSC Code:
12352100
PubChem Substance ID:
24847359
NACRES:
NA.22

assay

97%

SMILES string

N#CCc1ccccc1C#N

InChI

1S/C9H6N2/c10-6-5-8-3-1-2-4-9(8)7-11/h1-4H,5H2

InChI key

GKHSEDFDYXZGCG-UHFFFAOYSA-N

General description

2-Cyanophenylacetonitrile undergoes carbocyclization reaction with bromoacrylonitriles to give naphthylamine.

Application

2-Cyanophenylacetonitrile may be used in the synthesis of 2, 5-diphenylpyrazine.

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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A novel synthesis of 2, 5-diphenylpyrazine.
Luo M, et al.
Research on Chemical Intermediates, 36(5), 491-494 (2010)
Single step synthesis of 2, 4-dicyanonaphthylamines from synthetic equivalents of a-cyanoalkynes.
Reux D and Pochat F.
Journal of the Chemical Society. Chemical Communications, 20, 1419-1420 (1991)

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