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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
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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.
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.
signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 4 Oral - Eye Dam. 1 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
11 - Combustible Solids
wgk_germany
WGK 3
flash_point_f
226.9 °F - closed cup
flash_point_c
108.3 °C - closed cup
ppe
dust mask type N95 (US), Eyeshields, Faceshields, Gloves
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Pyridine derivatives: PART VI Malonations of substituted nitropyridines.
Gruber W.
Canadian Journal of Chemistry, 31(12), 1181-1188 (1953)
Synthesis and reactivity of 4-, 5-and 6-azaindoles.
Popowycz F, et al.
Tetrahedron, 63(36), 8689-8707 (2007)
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