3,4-Dibromo-4-(4-chlorophenyl)-2-butanone
Basic information
- CAS
343375-52-0- Standard SMILES
CC(=O)C(Br)C(Br)c1ccc(Cl)cc1- InChIKey
NNLXNPXDVHOGCR-UHFFFAOYSA-N- Molecular formula
- C10H9Br2ClO
- Average molar mass
- 340.44 g/mol
- Monoisotopic mass
- 337.87087
Names & identifiers
- Preferred name
- 3,4-Dibromo-4-(4-chlorophenyl)-2-butanone
- IUPAC
- 3,4-dibromo-4-(4-chlorophenyl)butan-2-one
- English name
- 3,4-Dibromo-4-(4-chlorophenyl)-2-butanone
- Molecular formula
- C10H9Br2ClO
- Molecular weight
- 340.44
Names & synonyms
343375-52-03,4-dibromo-4-(4-chlorophenyl)-2-butanone3,4-dibromo-4-(4-chlorophenyl)butan-2-oneC10H9Br2ClODTXSID901272005MFCD00664593AKOS0050986267C-0502-Butanone, 3,4-dibromo-4-(4-chlorophenyl)-
Database identifiers
- CAS
343375-52-0- PubChem CID
- 3755690
- DTXSID
DTXSID901272005
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 202
Physicochemical properties
- Boiling point
- 339.1 · 339.1±42.0 °C(Predicted)
- Density
- 1.774 · 1.774±0.06 g/cm3(Predicted)
- 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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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