Basic information
- CAS
771-78-8- Standard SMILES
Cc1cc([N+](=O)[O-])c(Cl)n[n+]1[O-]- InChIKey
LRDSHXSUTUKSKQ-UHFFFAOYSA-N- Molecular formula
- C5H4ClN3O3
- Average molar mass
- 189.56 g/mol
Names & identifiers
- Preferred name
- 3-Chloro-6-methyl-4-nitropyridazine 1-oxide
- IUPAC
- 3-chloro-6-methyl-4-nitro-1-oxidopyridazin-1-ium
- English name
- 3-chloro-6-methyl-4-nitropyridazine 1-oxide
- Molecular formula
- C5H4ClN3O3
- Molecular weight
- 189.56
Names & synonyms
3-chloro-6-methyl-4-nitropyridazine 1-oxide3-chloro-6-methyl-4-nitropyridazin-1-ium-1-olateSBB091001AKOS0062798263-chloro-6-methyl-4-nitropyridazin-1-olAC-907/341150523-chloro-6-methyl-4-nitro-1-oxidopyridazin-1-ium3-Chloro-6-methyl-4-nitropyridazinePyridazine, 3-chloro-6-methyl-4-nitro-, 1-oxide
Database identifiers
- CAS
771-78-8- Nikkaji
- J151.421K
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 185
Physicochemical properties
- Melting point
- 103 °C · 103 °C
- Boiling point
- 388.1 · 388.1±52.0 °C(Predicted)
- Density
- 1.7 · 1.70±0.1 g/cm3(Predicted)
- form
- powder
- pka
- -4.14 · -4.14±0.10(Predicted)
- color
- Light cream
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 280 · P280-P304+P340-P305+P351+P338
- HS Code
- 2933998090 · 2933998090
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
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P280-P304+P340-P305+P351+P338
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…