Basic information
- CAS
63549-33-7- Standard SMILES
Cc1ccc(Cl)cc1C(=O)CCCl- InChIKey
VBICFYLYNPVUKS-UHFFFAOYSA-N- Molecular formula
- C10H10Cl2O
- Average molar mass
- 217.09 g/mol
- Monoisotopic mass
- 216.0108703
Names & identifiers
- Preferred name
- 1-Propanone, 3-chloro-1-(5-chloro-2-methylphenyl)-
- IUPAC
- 3-chloro-1-(5-chloro-2-methylphenyl)propan-1-one
- English name
- 3-Chloro-1-(5-chloro-2-methylphenyl)-1-propanone
- Molecular formula
- C10H10Cl2O
- Molecular weight
- 217.09
Names & synonyms
3-Chloro-1-(5-chloro-2-methylphenyl)-1-propanone1-Propanone, 3-chloro-1-(5-chloro-2-methylphenyl)-DTXSID9069928RefChem:77164DTXCID104396063549-33-73-chloro-1-(5-chloro-2-methylphenyl)propan-1-oneMFCD18394765SY394844DB-304480
Database identifiers
- CAS
63549-33-7- PubChem CID
- 113333
- DTXSID
DTXSID9069928- Nikkaji
- J429.602H
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 182
Physicochemical properties
- Boiling point
- 329.1 · 329.1±37.0 °C(Predicted)
- Density
- 1.225 · 1.225±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- 1 · 1-Propanone, 3-chloro-1-(5-chloro-2-methylphenyl)- (63549-33-7)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Propanone, 3-chloro-1-(5-chloro-2-methylphenyl)-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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