2-Chloro-1-methyl-5-nitro-1H-imidazole
Basic information
- CAS
86072-07-3- Standard SMILES
Cn1c([N+](=O)[O-])cnc1Cl- InChIKey
IYVKWWTVJQDECA-UHFFFAOYSA-N- Molecular formula
- C4H4ClN3O2
- Average molar mass
- 161.55 g/mol
- Monoisotopic mass
- 160.9992041
Names & identifiers
- Preferred name
- 2-Chloro-1-methyl-5-nitro-1H-imidazole
- IUPAC
- 2-chloro-1-methyl-5-nitroimidazole
- English name
- 2-chloro-1-methyl-5-nitro-imidazole
- Molecular formula
- C4H4ClN3O2
- Molecular weight
- 161.55
Names & synonyms
2-CHLORO-1-METHYL-5-NITRO-1H-IMIDAZOLE86072-07-32-chloro-1-methyl-5-nitroimidazoleDTXSID80235373MFCD28390142AKOS023569740AT53550SY5669462-CHLORO, 3-METHYL, 4-NITROIMIDAZOL2-chloro-1-methyl-5-nitro-imidazole1H-Imidazole, 2-chloro-1-methyl-5-nitro-
Database identifiers
- CAS
86072-07-3- PubChem CID
- 55467
- DTXSID
DTXSID80235373- Nikkaji
- J1.590.072E
Properties
Computed structural properties
- XLogP
- 0.6
- 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
- 148
Experimental & physicochemical properties
LogP0.62
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
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Related reactions
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Compound notes
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