2-Nitronicotinic acid
Basic information
- CAS
33225-72-8- Standard SMILES
O=C(O)c1cccnc1[N+](=O)[O-]- InChIKey
RIMQELJEDBHDQZ-UHFFFAOYSA-N- Molecular formula
- C6H4N2O4
- Average molar mass
- 168.11 g/mol
- Monoisotopic mass
- 168.01710661
Names & identifiers
- Preferred name
- 2-Nitronicotinic acid
- IUPAC
- 2-nitropyridine-3-carboxylic acid
- English name
- 2-Nitronicotinic acid
- Molecular formula
- C6H4N2O4
- Molecular weight
- 168.11
Names & synonyms
2-Nitronicotinic acid33225-72-82-nitropyridine-3-carboxylic acidMFCD041141303-PYRIDINECARBOXYLIC ACID, 2-NITRO-nitronicotinic acid2-Nitro-nicotinic acidNSC1708472-NITRONICOTINICACIDSCHEMBL85640292-Nitro-3-pyridinecarboxylicacidDTXSID90305470
Show more names
NSC 1708472-Nitronicotinic acid ,97%2-nitropyridine-3-carboxylicaci2-Nitropyridine-3-carboxylicacid98%2-NITROPYRIDINE-3-CARBOXYLIC ACID 98%
RIMQELJEDBHDQZ-RIMQELJEDBHDQZ-UHFFFAOYSA-NAKOS006295150CS-W021735NSC-170847PB30788DS-11024SY013023
Database identifiers
- CAS
33225-72-8- PubChem CID
- 298627
- DTXSID
DTXSID90305470
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 96 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 200
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Boiling point
- 413 ℃ · 413℃
- Density
- 1.57 · 1.570
- Flash point
- 204 ℃ · 204℃
- storage temp.
- Inert atmosphere,Room Temperature
- pka
- 1.46 · 1.46±0.10(Predicted)
- Appearance
- White to yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 29339900 · 29339900
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
- 29339900
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…