232742
3-Hydroxy-6-methyl-2-nitropyridine
99%
Synonym(s):
6-Methyl-2-nitro-3-pyridinol
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About This Item
Empirical Formula (Hill Notation):
C6H6N2O3
CAS Number:
Molecular Weight:
154.12
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
239-192-8
MDL number:
Assay:
99%
Form:
powder
InChI key
WZMGQHIBXUAYGS-UHFFFAOYSA-N
InChI
1S/C6H6N2O3/c1-4-2-3-5(9)6(7-4)8(10)11/h2-3,9H,1H3
SMILES string
Cc1ccc(O)c(n1)[N+]([O-])=O
assay
99%
form
powder
mp
106-107 °C (lit.)
functional group
nitro
General description
Molecular structure and corresponding vibrational assignments of 3-hydroxy-6-methyl-2-nitropyridine have been investigated using density functional theory (DFT).
Application
3-Hydroxy-6-methyl-2-nitropyridine was used in the synthesis of 3-methoxy-6-methyl-2-nitropyridine.
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
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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Nucleophilic aromatic substitution by [18F] fluoride at substituted 2-nitropyridines.
Malik N, et al.
J. Radioanal. Nucl. Chem., 283(3), 757-764 (2010)
M Karnan et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 96, 51-62 (2012-06-05)
The optimized molecular structure and corresponding vibrational assignments of 3-hydroxy-6-methyl-2-nitropyridine have been investigated using density functional theory (DFT) B3LYP method with 6-311++G(d,p), 6-311++G(2d,2p) and 6-311++G(3d,3p) basis sets. Investigation of the relative orientation of the hydroxyl group with respect to the
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