Basic information
- CAS
63990-67-0- Standard SMILES
CC(=O)c1c(O)c(Br)c(O)c(Br)c1O- InChIKey
LBLJLTFUJGPYID-UHFFFAOYSA-N- Molecular formula
- C8H6Br2O4
- Average molar mass
- 325.94 g/mol
- Monoisotopic mass
- 323.86328
Names & identifiers
- Preferred name
- Acetophenone, 3',5'-dibromo-2',4',6'-trihydroxy-
- IUPAC
- 1-(3,5-dibromo-2,4,6-trihydroxyphenyl)ethanone
- English name
- 3',5'-Dibromo-2',4',6'-trihydroxyacetophenone
- Molecular formula
- C8H6Br2O4
- Molecular weight
- 325.94
Names & synonyms
63990-67-02-Acetyl-4,6-dibromo-5-hydroxyresorcinol3,5-Dibromo-2,4,6-trihydroxyacetophenoneACETOPHENONE, 3',5'-DIBROMO-2',4',6'-TRIHYDROXY-Ethanone, 1-(3,5-dibromo-2,4,6-trihydroxyphenyl)-DTXSID00213931RefChem:316924DTXCID301364221-(3,5-dibromo-2,4,6-trihydroxyphenyl)ethan-1-one3',5'-DIBROMO-2',4',6'-TRIHYDROXYACETOPHENONEDB-315052
Database identifiers
- CAS
63990-67-0- PubChem CID
- 46176
- DTXSID
DTXSID00213931- Nikkaji
- J90.730H
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 219
Physicochemical properties
- Melting point
- 202 · 202–204°C
Chemistry & industry
Preparation methods
PreparationPreparation by reaction of acetyl chloride or acetic anhydride on 2,4-dibromophloroglucinol with boron trifluoride (72–78%).
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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