214299
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:
Molecular Weight:
162.15
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
248-019-5
MDL number:
Assay:
97%
Form:
solid
InChI key
QGBSLPHQCUIZKK-UHFFFAOYSA-N
InChI
1S/C8H6N2O2/c1-6-2-3-7(5-9)8(4-6)10(11)12/h2-4H,1H3
SMILES string
Cc1ccc(C#N)c(c1)[N+]([O-])=O
assay
97%
form
solid
mp
97-99 °C (lit.)
Quality Level
Application
4-Methyl-2-nitrobenzonitrile was used in the preparation of 4-cyano-3-nitrobenzyl bromide.
signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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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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