Basic information
- Standard SMILES
Cc1cc([N+](=O)[O-])cc(C)[n+]1[O-]- InChIKey
LFPUGENPUAERSG-UHFFFAOYSA-N- Molecular formula
- C7H8N2O3
- Average molar mass
- 168.15 g/mol
- Monoisotopic mass
- 168.05349212
Names & identifiers
- Preferred name
- 2,6-Lutidine, 4-nitro-, 1-oxide
- IUPAC
- 2,6-dimethyl-4-nitro-1-oxidopyridin-1-ium
- English name
- 2,6-Dimethyl-4-nitropyridine-1-oxide
- Molecular formula
- C7H8N2O3
- Molecular weight
- 168.15
Names & synonyms
4808-64-42,6-Dimethyl-4-nitropyridine N-oxide2,6-Dimethyl-4-nitropyridine 1-oxidePyridine, 2,6-dimethyl-4-nitro-, 1-oxide2,6-LUTIDINE, 4-NITRO-, 1-OXIDEBRN 0150169AI3-602314-Nitro-2,6-dimethylpyridine 1-oxide2,6-Dimethyl-4-nitro-pyridine 1-oxideDTXSID701974115-20-06-00052 (Beilstein Handbook Reference)2,6-Dimethyl-4-nitropyridine-N-oxide
Show more names
4-NITROLUTIDINE1-OXIDE4-NITRO 2,6 DIMETHYL PYRIDINE-N-OXIDE2,6-dimethyl-4-nitro-1-oxido-pyridine
RefChem:2486064-Nitro-2,6-lutidine N-oxideDTXCID80119902LFPUGENPUAERSG-UHFFFAOYSA-N2,6-dimethyl-4-nitropyridin-1-ium-1-olate2,6-dimethyl-4-nitro-1-oxidopyridin-1-ium2,6-Dimethyl-4-nitropyridine-1-oxide4-Nitro-2,6-lutidine-1-oxide
Database identifiers
- CAS
4808-64-4- PubChem CID
- 20945
- DTXSID
DTXSID70197411- UNII
- 25F79GKV74
- EC Number
- 963-741-7
- Nikkaji
- J62.544B
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 71.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 168
Physicochemical properties
- Melting point
- 163 °C · 163 °C(Solv: ethanol (64-17-5))
- Boiling point
- 413.8 · 413.8±40.0 °C(Predicted)
- Density
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- pka
- -0.99 · -0.99±0.10(Predicted)
- FDA UNII
- 25 F79GKV74 · 25F79GKV74
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2933399990 · 2933399990
Safety & regulation
Safety data
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers23 total
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Related reactions
9 records
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