4-Hydroxy-3,5-dinitrobenzaldehyde
Basic information
- CAS
52132-61-3- Standard SMILES
O=Cc1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1- InChIKey
DFAVWLKOYKKDFX-UHFFFAOYSA-N- Molecular formula
- C7H4N2O6
- Average molar mass
- 212.12 g/mol
- Monoisotopic mass
- 212.00693585
Names & identifiers
- Preferred name
- 4-Hydroxy-3,5-dinitrobenzaldehyde
- IUPAC
- 4-hydroxy-3,5-dinitrobenzaldehyde
- English name
- 3,5-DINITRO-4-HYDROXYBENZALDEHYDE
- Molecular formula
- C7H4N2O6
- Molecular weight
- 212.12
Names & synonyms
4-Hydroxy-3,5-dinitrobenzaldehyde52132-61-33,5-Dinitro-4-hydroxybenzaldehydeBenzaldehyde, 4-hydroxy-3,5-dinitro-EINECS 257-684-0SCHEMBL6897071DTXSID802001424-hydroxy-3,5-dinitro-benzaldehyde4-Hydroxy-3,5-dinitrobenzaldehyde #AKOS016008575FD69856DB-014228
Show more names
4-HYDROXY-3,5-DINITROBENZALDEHYDE 97%3,5-DINITRO-4-HYDROXYBENZALDEHYDE 97%
NS00032431
Database identifiers
- CAS
52132-61-3- PubChem CID
- 104091
- DTXSID
DTXSID80200142- EC Number
- 257-684-0
- Nikkaji
- J279.458F
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 258
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
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Related reactions
5 records
Compound notes
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