1-(4-Chlorophenyl)-2-(2,4-dichlorophenyl)ethanone
Basic information
- CAS
654682-18-5- Standard SMILES
O=C(Cc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1- InChIKey
QKJIFHFYZXQGIA-UHFFFAOYSA-N- Molecular formula
- C14H9Cl3O
- Average molar mass
- 299.6 g/mol
- Monoisotopic mass
- 297.971898
Names & identifiers
- Preferred name
- 1-(4-Chlorophenyl)-2-(2,4-dichlorophenyl)ethanone
- IUPAC
- 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)ethanone
- English name
- 1-(4-Chlorophenyl)-2-(2,4-dichlorophenyl)ethanone
- Molecular formula
- C14H9Cl3O
- Molecular weight
- 299.58
Names & synonyms
1-(4-Chlorophenyl)-2-(2,4-dichlorophenyl)ethanone654682-18-5DTXSID40343084RefChem:225002DTXCID002941644'-Chloro-2-(2,4-dichlorophenyl)acetophenoneMFCD160384951-(4-Chlorophenyl)-2-(2,4-dichlorophenyl)ethan-1-one4'-Chlorophenyl-2,4-dichlorobenzyl ketoneSCHEMBL2847244AKOS012718952PS-11061
Show more names
Ethanone, 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-
DB-237784CS-0454680(2,4-Dichlorobenzyl)-(4-chlorophenyl)-ketoneF4611181-(4-Chlorophenyl)-2-(2,4-dichlorophenyl)ethanone #4 inverted exclamation marka-Chloro-2-(2,4-dichlorophenyl)acetophenone
Database identifiers
- CAS
654682-18-5- PubChem CID
- 587269
- DTXSID
DTXSID40343084
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 287
Physicochemical properties
- Melting point
- 127 · 127-128.5 °C(Solv: cyclohexane (110-82-7))
- Boiling point
- 419 · 419.0±35.0 °C(Predicted)
- Density
- 1.377 · 1.377±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 5 · GHS05,GHS07,GHS09
- Signal word
- Danger
- Hazard statements
- 317 · H317-H318-H411
- Precautionary statements
- 260 · P260-P273-P280
- HS Code
- 2914790090 · 2914790090
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
- 2914790090
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07,GHS09
- Hazard statements
- H317-H318-H411
- Precautionary statements
- P260-P273-P280
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
4 records
Compound notes
Loading…