1-(4-Bromophenyl)-3-[(4-chlorophenyl)sulfanyl]-1-propanone
Basic information
- CAS
882748-87-0- Standard SMILES
O=C(CCSc1ccc(Cl)cc1)c1ccc(Br)cc1- InChIKey
JBBYSQNRIXHKKH-UHFFFAOYSA-N- Molecular formula
- C15H12BrClOS
- Average molar mass
- 355.7 g/mol
- Monoisotopic mass
- 353.94808
Names & identifiers
- Preferred name
- 1-(4-Bromophenyl)-3-[(4-chlorophenyl)sulfanyl]-1-propanone
- IUPAC
- 1-(4-bromophenyl)-3-(4-chlorophenyl)sulfanylpropan-1-one
- English name
- 1-(4-Bromophenyl)-3-[(4-chlorophenyl)sulfanyl]-1-propanone
- Molecular formula
- C15H12BrClOS
- Molecular weight
- 355.68
Names & synonyms
882748-87-01-(4-bromophenyl)-3-[(4-chlorophenyl)sulfanyl]-1-propanone1-(4-bromophenyl)-3-[(4-chlorophenyl)sulfanyl]propan-1-one1-(4-bromophenyl)-3-(4-chlorophenyl)sulfanylpropan-1-one1-(4-Bromophenyl)-3-[(4-chlorophenyl)thio]-1-propanone1-(4-BROMOPHENYL)-3-((4-CHLOROPHENYL)THIO)-1-PROPANONEDTXSID601208940AKOS005108290JS-23711-(4-Bromophenyl)-3-((4-chlorophenyl)thio)propan-1-oneSALOR-INT L201057-1EA1-Propanone, 1-(4-bromophenyl)-3-[(4-chlorophenyl)thio]-
Database identifiers
- CAS
882748-87-0- PubChem CID
- 4060897
- DTXSID
DTXSID601208940- EC Number
- 125-909-0
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 284
Physicochemical properties
- Boiling point
- 475.8 · 475.8±40.0 °C(Predicted)
- Density
- 1.51 · 1.51±0.1 g/cm3(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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