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Merck
CN

454850

2-Methyl-4-nitropyridine N-oxide

97%

Synonym(s):

4-Nitro-2-picoline N-oxide

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About This Item

Empirical Formula (Hill Notation):
C6H6N2O3
CAS Number:
5470-66-6
Molecular Weight:
154.12
NACRES:
NA.22
PubChem Substance ID:
24868982
UNSPSC Code:
12352100
MDL number:
MFCD00014625

Key Documents

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Product Name

2-Methyl-4-nitropyridine N-oxide, 97%

InChI

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

SMILES string

Cc1cc(cc[n+]1[O-])[N+]([O-])=O

InChI key

FTTIAVRPJGCXAC-UHFFFAOYSA-N

assay

97%

mp

155-159 °C (lit.)

functional group

nitro

Quality Level

100

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pictograms

Health hazardExclamation mark
GHS08,GHS07

signalword

Warning

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Carc. 2 - 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

Eyeshields, Gloves, type P3 (EN 143) respirator cartridges

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Certificates of Analysis (COA)

Lot/Batch Number
MKBR8741V
MKBL5042V
MKBH9746V
MKBD0952V
MKBD0952

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Amination of alkyl substituted halogenopyridines with potassium amide in liquid ammonia.
Van der Does L and Den Hertog HJ.
Rec. Trav. Chim., 91(12), 1403-1413 (1972)
Aniela Puszko et al.
Journal of inorganic biochemistry, 104(2), 153-160 (2009-11-26)
Three new complexes, products of the interaction of Cu(NO(3))(2) and methyl-substituted 4-nitropyridine N-oxides were synthesized and characterized by elemental analysis, magnetic, spectroscopic (IR, FIR and EPR), thermal and X-ray methods. The complexes (magnetic moments 1.70-1.81 BM at 300K) of general
Max Peukert et al.
Acta crystallographica. Section E, Structure reports online, 70(Pt 4), o426-o427 (2014-05-16)
An improved crystal structure of the title compound, C6H6N2O3, is reported. The structure, previously solved [Li et al. (1987 ▶). Jiegou Huaxue (Chin. J. Struct. Chem.), 6, 20-24] in the ortho-rhom-bic space group Pca21 and refined to R = 0.067

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