4-Hydroxy-7-nitroquinoline-3-carboxylic acid
Basic information
- CAS
40107-11-7- Standard SMILES
O=C(O)c1c[nH]c2cc([N+](=O)[O-])ccc2c1=O- InChIKey
HGHKRTOZDXYURD-UHFFFAOYSA-N- Molecular formula
- C10H6N2O5
- Average molar mass
- 234.16 g/mol
- Monoisotopic mass
- 234.0276713
Names & identifiers
- Preferred name
- 4-Hydroxy-7-nitroquinoline-3-carboxylic acid
- IUPAC
- 7-nitro-4-oxo-1H-quinoline-3-carboxylic acid
- English name
- 4-Hydroxy-7-nitroquinoline-3-carboxylic acid
- Molecular formula
- C10H6N2O5
- Molecular weight
- 234.16
Names & synonyms
4-HYDROXY-7-NITROQUINOLINE-3-CARBOXYLIC ACID40107-11-77-nitro-4-oxo-1H-quinoline-3-carboxylic acid51726-79-54-Hydroxy-7-nitro-3-quinolinecarboxylic acid7-Nitro-4-oxo-1,4-dihydroquinoline-3-carboxylic acidMFCD12922869CHEMBL139244NSC307164SCHEMBL7687461SCHEMBL11528060DTXSID20960556
Show more names
3-Quinolinecarboxylic acid, 4-hydroxy-7-nitro-
QBA10711BDBM50404701AKOS005142450EBC-611361NSC-307164SB69938AS-42325DB-111055
Database identifiers
- CAS
40107-11-7- PubChem CID
- 328530
- DTXSID
DTXSID20960556- ChEMBL
CHEMBL139244- Nikkaji
- J579.566D
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 411
Physicochemical properties
- Melting point
- 274 · 274-275 °C (decomp)
- Boiling point
- 478.2 · 478.2±45.0 °C(Predicted)
- Density
- 1.677 · 1.677±0.06 g/cm3(Predicted)
- pka
- 0.36 · 0.36±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2933499090 · 2933499090
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
- 2933499090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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