Basic information
- CAS
19183-15-4- Standard SMILES
Cn1cnc([N+](=O)[O-])c1[N+](=O)[O-]- InChIKey
QKPRSIGTZWYCEV-UHFFFAOYSA-N- Molecular formula
- C4H4N4O4
- Average molar mass
- 172.1 g/mol
- Monoisotopic mass
- 172.02325462
Names & identifiers
- Preferred name
- 1-Methyl-4,5-dinitroimidazole
- IUPAC
- 1-methyl-4,5-dinitroimidazole
- English name
- 1-methyl-4,5-dinitro-imidazole
- Molecular formula
- C4H4N4O4
- Molecular weight
- 172.1
Names & synonyms
1-methyl-4,5-dinitro-1H-imidazole19183-15-41-METHYL-4,5-DINITROIMIDAZOLE1-methyl-4,5-dinitro-imidazole1H-Imidazole, 1-methyl-4,5-dinitro-1H-Imidazole,1-methyl-4,5-dinitro-SCHEMBL5367724DTXSID20172718QKPRSIGTZWYCEV-UHFFFAOYSA-NAKOS015959556
Database identifiers
- CAS
19183-15-4- PubChem CID
- 29484
- DTXSID
DTXSID20172718- Nikkaji
- J1.605.508E
Properties
Computed structural properties
- XLogP
- 0.4
- 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
Experimental & physicochemical properties
LogP0.41
Physicochemical properties
- Melting point
- 74 · 74-75 °C(Solv: methanol (67-56-1))
- Boiling point
- 468.1 · 468.1±25.0 °C(Predicted)
- Density
- 1.83 · 1.83±0.1 g/cm3(Predicted)
- pka
- -4.55 · -4.55±0.61(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers3 total
成都叮当时代医药科技有限公司028-86040038 · [email protected]
成都诺维尔生物医药有限公司028-85255396 18302801538 · [email protected]
郑州汇聚化工有限公司037155153829 18003835034 · [email protected]
Related reactions
2 records
Compound notes
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