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214299

Sigma-Aldrich

4-Methyl-2-nitrobenzonitrile

97%

Synonym(s):

2-Nitro-p-tolunitrile

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About This Item

Linear Formula:
O2NC6H3(CH3)CN
CAS Number:
26830-95-5
Molecular Weight:
162.15
EC Number:
248-019-5
MDL number:
MFCD00056107
UNSPSC Code:
12352100
PubChem Substance ID:
24852826
NACRES:
NA.22

assay

97%

form

solid

mp

97-99 °C (lit.)

SMILES string

Cc1ccc(C#N)c(c1)[N+]([O-])=O

InChI

1S/C8H6N2O2/c1-6-2-3-7(5-9)8(4-6)10(11)12/h2-4H,1H3

InChI key

QGBSLPHQCUIZKK-UHFFFAOYSA-N

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Application

4-Methyl-2-nitrobenzonitrile was used in the preparation of 4-cyano-3-nitrobenzyl bromide.

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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Lin Xu et al.
Biochemistry, 50(39), 8311-8322 (2011-08-24)
Vibrational Stark effect spectroscopy was used to measure electrostatic fields in the hydrophobic region of the active site of human aldose reductase (hALR2). A new nitrile-containing inhibitor was designed and synthesized, and the X-ray structure of its complex, along with

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