1-Bromo-3-(2-chlorophenyl)propan-2-one
Basic information
- CAS
651358-39-3- Standard SMILES
O=C(CBr)Cc1ccccc1Cl- InChIKey
OWQQZWHZLRSDIM-UHFFFAOYSA-N- Molecular formula
- C9H8BrClO
- Average molar mass
- 247.51 g/mol
- Monoisotopic mass
- 245.94471
Names & identifiers
- Preferred name
- 1-Bromo-3-(2-chlorophenyl)propan-2-one
- IUPAC
- 1-bromo-3-(2-chlorophenyl)propan-2-one
- English name
- 1-bromo-3-(2-chlorophenyl)propan-2-one
- Molecular formula
- C9H8BrClO
- Molecular weight
- 247.52
Names & synonyms
1-BROMO-3-(2-CHLOROPHENYL)PROPAN-2-ONE651358-39-3SCHEMBL12731515DTXSID40695156AKOS017560810AB921451-bromo-3-(2-chlorophenyl)acetone2-Propanone, 1-bromo-3-(2-chlorophenyl)-
Database identifiers
- CAS
651358-39-3- PubChem CID
- 53403271
- DTXSID
DTXSID40695156
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 161
Physicochemical properties
- Boiling point
- 303.9 · 303.9±22.0 °C(Predicted)
- Density
- 1.537 · 1.537±0.06 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
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
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
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Related reactions
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Compound notes
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