1,2-Dimethyl-4-nitro-1H-imidazole
Basic information
- CAS
13230-04-1- Standard SMILES
Cc1nc([N+](=O)[O-])cn1C- InChIKey
YJJBSMOKINSQQF-UHFFFAOYSA-N- Molecular formula
- C5H7N3O2
- Average molar mass
- 141.13 g/mol
- Monoisotopic mass
- 141.05382648
Names & identifiers
- Preferred name
- 1,2-Dimethyl-4-nitro-1H-imidazole
- IUPAC
- 1,2-dimethyl-4-nitroimidazole
- English name
- 1,2-Dimethyl-4-nitro-1H-imidazole
- Molecular formula
- C5H7N3O2
- Molecular weight
- 141.13
Names & synonyms
1,2-Dimethyl-4-nitro-1H-imidazole13230-04-11,2-DIMETHYL-4-NITROIMIDAZOLE1H-Imidazole, 1,2-dimethyl-4-nitro-MFCD001398541,2-Dimethyl-4-nitro-imidazoleImidazole, 1,2-dimethyl-4-nitro-BRN 0121504EINECS 236-201-71H-Imidazole,1,2-dimethyl-4-nitro-SCHEMBL632861,2-dimethyl-4-nitro-imidazol
Show more names
1H-Imidazole,1,2-dimethyl-4-nitro-(9CI)1-methyl-D3-1,2-Dimethyl-4-nitro-1H-imidazole
DTXSID30157470Imidazole, 4-nitro-1,2-dimethyl-BBL028265SBB025116STK352059AKOS005168008AKOS015920675SY387714
Database identifiers
- CAS
13230-04-1- PubChem CID
- 25791
- DTXSID
DTXSID30157470- EC Number
- 236-201-7
- Nikkaji
- J86.818C
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 144
Experimental & physicochemical properties
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
LogP-0.24
Physicochemical properties
- Melting point
- 179 · 179-182°C
- Boiling point
- 258.15 °C · 258.15°C (rough estimate)
- Density
- 1.3818 · 1.3818 (rough estimate)
- refractive index
- 1.619 · 1.6190 (estimate)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 280 · P280
- HS Code
- 2933299090 · 2933299090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933299090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P280
Suppliers
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Related reactions
3 records
Compound notes
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