1-Chloro-4-(ethylsulfonyl)benzene
Basic information
- CAS
7205-80-3- Standard SMILES
CCS(=O)(=O)c1ccc(Cl)cc1- InChIKey
FVSFDDWOQCUYKZ-UHFFFAOYSA-N- Molecular formula
- C8H9ClO2S
- Average molar mass
- 204.67 g/mol
- Monoisotopic mass
- 204.0011784
Names & identifiers
- Preferred name
- 1-Chloro-4-(ethylsulfonyl)benzene
- IUPAC
- 1-chloro-4-ethylsulfonylbenzene
- English name
- 4-Chlorophenyl ethyl sulfone
- Molecular formula
- C8H9ClO2S
- Molecular weight
- 204.67
Names & synonyms
1-chloro-4-(ethylsulfonyl)benzene7205-80-34-chlorophenyl ethyl sulfone1-chloro-4-ethylsulfonylbenzene1-chloro-4-(ethanesulfonyl)benzene1-Chloro-4-(ethylsulphonyl)benzene1-Chloro-4-ethanesulfonyl-benzeneBenzene, 1-chloro-4-(ethylsulfonyl)-1-Chloro-4-ethylsulfonyl-benzeneEINECS 230-577-6p-Chlorophenyl ethyl sulfoneHFY9Q8L2F3
Show more names
4-EthylsulfonylchlorobenzeneEthyl(4-chlorophenyl) sulfone1-Chloro-4-ethanesulfonylbenzeneBenzene,1-chloro-4-(ethylsulfonyl)-
Sulfone, p-chlorophenyl ethylSCHEMBL193882SCHEMBL198600SCHEMBL6219614SCHEMBL27649852SCHEMBL27828055DTXSID80222384FVSFDDWOQCUYKZ-UHFFFAOYSA-N
Database identifiers
- CAS
7205-80-3- PubChem CID
- 81622
- DTXSID
DTXSID80222384- UNII
- HFY9Q8L2F3
- EC Number
- 230-577-6
- Nikkaji
- J227.441H
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 222
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physicochemical properties
- Melting point
- 260 · 260-261 °C
- Boiling point
- 95 · 95-97 °C(Press: 3 Torr)
- Density
- 1.1688 g/cm3 · 1.1688 g/cm3
- storage temp.
- 2 · 2-8°C
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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