4-Hydroxy-2-nitrobenzaldehyde
Basic information
- CAS
90151-04-5- Standard SMILES
O=Cc1ccc(O)cc1[N+](=O)[O-]- InChIKey
PTVFUHTYJLKEDZ-UHFFFAOYSA-N- Molecular formula
- C7H5NO4
- Average molar mass
- 167.12 g/mol
- Monoisotopic mass
- 167.02185764
Names & identifiers
- Preferred name
- 4-Hydroxy-2-nitrobenzaldehyde
- IUPAC
- 4-hydroxy-2-nitrobenzaldehyde
- English name
- Benzaldehyde, 4-hydroxy-2-nitro-
- Molecular formula
- C7H5NO4
- Molecular weight
- 167.12
Names & synonyms
4-Hydroxy-2-nitrobenzaldehyde90151-04-5DTXSID80342950RefChem:1070750DTXCID70294030MFCD18397317Benzaldehyde, 4-hydroxy-2-nitro-2-nitro-4-hydroxybenzaldehyde4-hydroxy-2-nitro-benzaldehydeSCHEMBL20025444-Hydroxy-2-nitrobenzaldehyde #AKOS024053711
Show more names
JS-3016DA-23104SY047169CS-0133797C77050F455357
Database identifiers
- CAS
90151-04-5- PubChem CID
- 586137
- DTXSID
DTXSID80342950- Nikkaji
- J683.517A
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 188
Physicochemical properties
- Melting point
- 136 · 136-137 °C
- Boiling point
- 350.2 · 350.2±32.0 °C(Predicted)
- Density
- 1.5 · 1.500±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 6.21 · 6.21±0.10(Predicted)
- Appearance
- Light yellow to brown Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
- 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
Related reactions
2 records
Compound notes
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