Basic information
- CAS
39614-82-9- Standard SMILES
O=C(Cl)c1ccc([N+](=O)[O-])cc1O- InChIKey
GIXCHTWQWLWUCY-UHFFFAOYSA-N- Molecular formula
- C7H4ClNO4
- Average molar mass
- 201.56 g/mol
- Monoisotopic mass
- 200.98288529
Names & identifiers
- Preferred name
- 2-Hydroxy-4-nitrobenzoyl chloride
- IUPAC
- 2-hydroxy-4-nitrobenzoyl chloride
- English name
- Benzoyl chloride, 2-hydroxy-4-nitro- (9CI)
- Molecular formula
- C7H4ClNO4
- Molecular weight
- 201.56
Names & synonyms
2-Hydroxy-4-nitrobenzoyl chloride39614-82-92-HYDROXY-4-NITRO-BENZOYL CHLORIDESCHEMBL1644789DTXSID60513121GIXCHTWQWLWUCY-UHFFFAOYSA-NBenzoyl chloride, 2-hydroxy-4-nitro-DB-274959Benzoyl chloride, 2-hydroxy-4-nitro- (9CI)
Database identifiers
- CAS
39614-82-9- PubChem CID
- 12924720
- DTXSID
DTXSID60513121
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 227
Physicochemical properties
- Melting point
- 61 · 61-62 °C(Solv: ligroine (8032-32-4))
- Boiling point
- 334.6 · 334.6±32.0 °C(Predicted)
- Density
- 1.598 · 1.598±0.06 g/cm3(Predicted)
- pka
- 5.96 · 5.96±0.10(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
6 records
Compound notes
Loading…