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232742

Sigma-Aldrich

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:
15128-90-2
Molecular Weight:
154.12
EC Number:
239-192-8
MDL number:
MFCD00006259
UNSPSC Code:
12352100
PubChem Substance ID:
24853818
NACRES:
NA.22

Assay

99%

form

powder

mp

106-107 °C (lit.)

functional group

nitro

SMILES string

Cc1ccc(O)c(n1)[N+]([O-])=O

InChI

1S/C6H6N2O3/c1-4-2-3-5(9)6(7-4)8(10)11/h2-3,9H,1H3

InChI key

WZMGQHIBXUAYGS-UHFFFAOYSA-N

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.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

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
STBF0370V
STBC4061V
STBB4453V
STBB4453
STBB3162

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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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