2-Chloroethyl-[3-(trifluoromethyl)phenyl]sulphone
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Basic information
- CAS
175203-09-5- Standard SMILES
O=S(=O)(CCCl)c1cccc(C(F)(F)F)c1- InChIKey
YUZZZNBYRRMSPV-UHFFFAOYSA-N- Molecular formula
- C9H8ClF3O2S
- Average molar mass
- 272.67 g/mol
- Monoisotopic mass
- 271.98856284
Names & identifiers
- Preferred name
- 2-Chloroethyl-[3-(trifluoromethyl)phenyl]sulphone
- IUPAC
- 1-(2-chloroethylsulfonyl)-3-(trifluoromethyl)benzene
- English name
- 2-CHLOROETHYL-(3-(TRIFLUOROMETHYL)PHENYL)SULFONE
- Molecular formula
- C9H8ClF3O2S
- Molecular weight
- 272.67
Names & synonyms
175203-09-52-Chloroethyl-[3-(trifluoromethyl)phenyl]sulphone1-(2-chloroethylsulfonyl)-3-(trifluoromethyl)benzene1-((2-Chloroethyl)sulfonyl)-3-(trifluoromethyl)benzene2-chloroethyl-(3-(trifluoromethyl)phenyl)sulfone1-[(2-chloroethyl)sulfonyl]-3-(trifluoromethyl)benzeneMFCD000680162-Chloroethyl 3-[(trifluoromethyl)phenyl] sulphone1-(2-chloroethanesulfonyl)-3-(trifluoromethyl)benzeneBenzene, 1-[(2-chloroethyl)sulfonyl]-3-(trifluoromethyl)-SCHEMBL1723168DTXSID10371410
Show more names
2-Chloroethyl3-[(trifluoromethyl)phenyl]sulphone97%2-Chloroethyl 3-[(trifluoromethyl)phenyl] sulphone 97%
SBB055252AKOS015912406CS-03368192-((3-(trifluoromethyl)phenyl)sulfonyl)ethyl chloride2-chloro-1-{[3-(trifluoromethyl)phenyl]sulfonyl}ethane1-[(2-Chloroethyl)Sulfonyl]-3-(Trifluoromethyl)-Benzene
Database identifiers
- CAS
175203-09-5- PubChem CID
- 2736506
- DTXSID
DTXSID10371410
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 321
Physicochemical properties
- Melting point
- 52 · 52-55°C
- Boiling point
- 360.7 · 360.7±42.0 °C(Predicted)
- Density
- 1.415 · 1.415±0.06 g/cm3(Predicted)
- CAS DataBase Reference
- 175203 · 175203-09-5(CAS DataBase Reference)
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H318-H335
- Precautionary statements
- 280 · P280-P301+P312-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- Hazard Note
- Irritant
- HS Code
- 2942000090 · 2942000090
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
- 2942000090
- risk_code
- 36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36
- Hazard statements
- H302-H315-H318-H335
- Precautionary statements
- P280-P301+P312-P305+P351+P338
Related reactions
6 records
Compound notes
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