Ethanone, 1-(4-hydroxy-3,5-dinitrophenyl)-
Basic information
- CAS
52129-61-0- Standard SMILES
CC(=O)c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1- InChIKey
FZUDMWLMAWINRV-UHFFFAOYSA-N- Molecular formula
- C8H6N2O6
- Average molar mass
- 226.14 g/mol
- Monoisotopic mass
- 226.02258592
Names & identifiers
- Preferred name
- Ethanone, 1-(4-hydroxy-3,5-dinitrophenyl)-
- IUPAC
- 1-(4-hydroxy-3,5-dinitrophenyl)ethanone
- English name
- 1-(4-Hydroxy-3,5-dinitrophenyl)ethanone
- Molecular formula
- C8H6N2O6
- Molecular weight
- 226.14
Names & synonyms
52129-61-04'-Hydroxy-3',5'-dinitroacetophenoneEthanone, 1-(4-hydroxy-3,5-dinitrophenyl)-DTXSID3068708RefChem:592497DTXCID60411351-(4-hydroxy-3,5-dinitrophenyl)ethanone1-{4-hydroxy-3,5-dinitrophenyl}ethanone1-(4-hydroxy-3,5-dinitrophenyl)ethan-1-oneAN-651/43284897SCHEMBL11799631SBB096933
Show more names
Ferulic Acid Impurity 22
3',5'-dinitro-4'-hydroxyacetophenone1-acetyl-4-hydroxy-3,5-dinitrobenzeneDB-290751
Database identifiers
- CAS
52129-61-0- PubChem CID
- 104086
- DTXSID
DTXSID3068708- Nikkaji
- J422.596A
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 295
Physicochemical properties
- Melting point
- 123.2 · 123.2–123.5°C
- EPA Substance Registry System
- 1 · Ethanone, 1-(4-hydroxy-3,5-dinitrophenyl)- (52129-61-0)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationEthanone, 1-(4-hydroxy-3,5-dinitrophenyl)-: INACTIVE
Applications
Uses4''-Hydroxy-3'',5''-dinitroacetophenone is useful in the synthesis of compounds which exhibit antimicrobial activity.
Preparation methods
PreparationPreparation by nitration of 4-hydroxyacetophenone with potassium nitrate in concentrated sulfuric acid at 5–10°.
Upstream & downstream products
Upstream raw materials
Related reactions
2 records
Compound notes
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