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151572

Sigma-Aldrich

4-Nitrophenylacetonitrile

98%

Synonym(s):

4-Nitrobenzyl cyanide

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About This Item

Linear Formula:
O2NC6H4CH2CN
CAS Number:
555-21-5
Molecular Weight:
162.15
Beilstein:
388442
EC Number:
209-085-0
MDL number:
MFCD00007372
UNSPSC Code:
12352100
PubChem Substance ID:
24849146
NACRES:
NA.22

Quality Level

100

Assay

98%

form

powder

mp

113-115 °C (lit.)

functional group

nitrile
nitro

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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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

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Certificates of Analysis (COA)

Lot/Batch Number
MKCP1092
MKCM2125
MKBZ5968V
MKBW5738V
MKBS5287V

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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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