1-(3,5-Dibromo-4-methoxyphenyl)ethanone
Basic information
- CAS
79324-79-1- Standard SMILES
COc1c(Br)cc(C(C)=O)cc1Br- InChIKey
YZLSJKQCNFBAOB-UHFFFAOYSA-N- Molecular formula
- C9H8Br2O2
- Average molar mass
- 307.97 g/mol
- Monoisotopic mass
- 305.8891
Names & identifiers
- Preferred name
- 1-(3,5-Dibromo-4-methoxyphenyl)ethanone
- IUPAC
- 1-(3,5-dibromo-4-methoxyphenyl)ethanone
- English name
- Ethanone, 1-(3,5-dibromo-4-methoxyphenyl)-
- Molecular formula
- C9H8Br2O2
- Molecular weight
- 307.97
Names & synonyms
1-(3,5-dibromo-4-methoxyphenyl)ethanone79324-79-1Ethanone, 1-(3,5-dibromo-4-methoxyphenyl)-DTXSID003561701-(3,5-Dibromo-4-methoxyphenyl)ethan-1-oneAO-089/41019499
Database identifiers
- CAS
79324-79-1- PubChem CID
- 820190
- DTXSID
DTXSID00356170
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 184
Physicochemical properties
- Melting point
- 78 °C · 78°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-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
- P280-P305+P351+P338
Chemistry & industry
Preparation methods
PreparationPreparation by reaction of dimethyl sulfate with 3,5-dibromo-4-hydroxyacetophenone in the presence of sodium hydroxide.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…