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About This Item
Empirical Formula (Hill Notation):
C6H6N2O2
CAS Number:
Molecular Weight:
138.12
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
form:
solid
Assay:
97%
Recommended Products
Assay
97%
form
solid
refractive index
n20/D 1.549
bp
238 °C
mp
24-28 °C
density
1.228 g/mL at 25 °C
SMILES string
Cc1ccncc1[N+]([O-])=O
InChI
1S/C6H6N2O2/c1-5-2-3-7-4-6(5)8(9)10/h2-4H,1H3
InChI key
JLNRJMGYBKMDGI-UHFFFAOYSA-N
General description
4-Methyl-3-nitropyridine, a substituted nitropyridine, can be prepared by the malonation of 4-methoxy-3-nitropyridine with sodium diethyl malonate.[1]
Application
4-Methyl-3-nitropyridine may be used as a starting material in the synthesis of ethyl 6-azaindole-2-carboxylate and also 3-substituted azaindoles.[2]
Signal Word
Danger
Hazard Statements
Precautionary Statements
Hazard Classifications
Acute Tox. 4 Oral - Eye Dam. 1 - Skin Irrit. 2 - STOT SE 3
Target Organs
Respiratory system
Storage Class Code
11 - Combustible Solids
WGK
WGK 3
Flash Point(F)
226.9 °F - closed cup
Flash Point(C)
108.3 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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Synthesis and reactivity of 4-, 5-and 6-azaindoles.
Popowycz F, et al.
Tetrahedron, 63(36), 8689-8707 (2007)
Pyridine derivatives: PART VI Malonations of substituted nitropyridines.
Gruber W.
Canadian Journal of Chemistry, 31(12), 1181-1188 (1953)
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