1H-Imidazole, 2-methyl-1,4-dinitro-
Basic information
- CAS
19182-82-2- Standard SMILES
Cc1nc([N+](=O)[O-])cn1[N+](=O)[O-]- InChIKey
BVFZUJRMDAZULW-UHFFFAOYSA-N- Molecular formula
- C4H4N4O4
- Average molar mass
- 172.1 g/mol
- Monoisotopic mass
- 172.02325462
Names & identifiers
- Preferred name
- 1H-Imidazole, 2-methyl-1,4-dinitro-
- IUPAC
- 2-methyl-1,4-dinitroimidazole
- English name
- 2-Methyl-1,4-dinitroimidazole
- Molecular formula
- C4H4N4O4
- Molecular weight
- 172.1
Names & synonyms
19182-82-21H-Imidazole, 2-methyl-1,4-dinitro-DTXSID20454960RefChem:238058DTXCID604057792-methyl-1,4-dinitroimidazole2-methyl-1,4-dinitro-1H-ImidazoleOrnidazole Impurity 39
Database identifiers
- CAS
19182-82-2- PubChem CID
- 11095076
- DTXSID
DTXSID20454960- Nikkaji
- J664.812F
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 208
Physicochemical properties
- Melting point
- 122 · 122-124 °C
- Boiling point
- 427.4 · 427.4±37.0 °C(Predicted)
- Density
- 1.83 · 1.83±0.1 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- -5.73 · -5.73±0.60(Predicted)
- Appearance
- White to off-white Solid
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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