4-Bromo-1-(4-chlorophenyl)butan-1-one
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Basic information
- CAS
156092-12-5- Standard SMILES
O=C(CCCBr)c1ccc(Cl)cc1- InChIKey
VQZCACGMEDIQKK-UHFFFAOYSA-N- Molecular formula
- C10H10BrClO
- Average molar mass
- 261.54 g/mol
- Monoisotopic mass
- 259.96036
Names & identifiers
- Preferred name
- 4-Bromo-1-(4-chlorophenyl)butan-1-one
- IUPAC
- 4-bromo-1-(4-chlorophenyl)butan-1-one
- English name
- 4-Bromo-1-(4-chlorophenyl)butan-1-one
- Molecular formula
- C10H10BrClO
- Molecular weight
- 261.54
Names & synonyms
4-bromo-1-(4-chlorophenyl)butan-1-one156092-12-5MFCD163338774-Bromo-4'-chlorobutyrophenone1-Butanone, 4-bromo-1-(4-chlorophenyl)-SCHEMBL11290147DTXSID30343093VQZCACGMEDIQKK-UHFFFAOYSA-NAKOS022319519SS-35004-Bromo-1-(4-chlorophenyl)-1-butanone #CS-0447347
Database identifiers
- CAS
156092-12-5- PubChem CID
- 587389
- DTXSID
DTXSID30343093
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 164
Physicochemical properties
- Boiling point
- 347.3 · 347.3±22.0 °C(Predicted)
- Density
- 1.46 · 1.460±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
- HS Code
- 2914310000 · 2914310000
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
- hs_code
- 2914310000
- 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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