214299

Sigma-Aldrich

4-Methyl-2-nitrobenzonitrile

97%

Synonym(s):
2-Nitro-p-tolunitrile
Linear Formula:
O2NC6H3(CH3)CN
CAS Number:
Molecular Weight:
162.15
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.22
Pricing and availability is not currently available.

Quality Level

assay

97%

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.

Packaging

1 g in glass bottle
250 mg in glass bottle

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Personal Protective Equipment

dust mask type N95 (US),Eyeshields,Gloves

RIDADR

NONH for all modes of transport

WGK Germany

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Certificate of Analysis
Certificate of Origin
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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