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Key Documents

151572

Sigma-Aldrich

4-Nitrophenylacetonitrile

98%

Synonym(s):

4-Nitrobenzyl cyanide

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About This Item

Linear Formula:
O2NC6H4CH2CN
CAS Number:
Molecular Weight:
162.15
Beilstein:
388442
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Quality Level

Assay

98%

form

powder

mp

113-115 °C (lit.)

SMILES string

[O-][N+](=O)c1ccc(CC#N)cc1

InChI

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

InChI key

PXNJGLAVKOXITN-UHFFFAOYSA-N

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Related Categories

Application

4-Nitrophenylacetonitrile was used in the preparation of cyanostilbene.

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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445. The kinetics of some fast reactions of 4-nitrobenzyl cyanide in solution at ?77?.
Caldin EF and Harbron E.
Journal of the Chemical Society, 2314-2319 (1962)

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