Basic information
- CAS
907175-73-9- Standard SMILES
Cc1ccc(S(=O)(=O)OC(c2ccc(Cl)cc2)C(F)(F)F)cc1- InChIKey
NRWHJFWWNZKIII-UHFFFAOYSA-N- Molecular formula
- C15H12ClF3O3S
- Average molar mass
- 364.8 g/mol
- Monoisotopic mass
- 364.0147776
Names & identifiers
- Preferred name
- 1-(4-Chlorophenyl)-2,2,2-trifluoroethyl 4-methylbenzenesulfonate
- IUPAC
- [1-(4-chlorophenyl)-2,2,2-trifluoroethyl] 4-methylbenzenesulfonate
- English name
- 1-(4-chlorophenyl)-2,2,2-trifluoroethyl 4-Methylbenzenesulfonate
- Molecular formula
- C15H12ClF3O3S
- Molecular weight
- 364.76
Names & synonyms
1-(4-chlorophenyl)-2,2,2-trifluoroethyl 4-methylbenzenesulfonate907175-73-9[1-(4-chlorophenyl)-2,2,2-trifluoroethyl] 4-methylbenzenesulfonate1-(4-Chlorophenyl)-2,2,2-trifluoroethyl4-methylbenzenesulfonate1-(4-chlorophenyl)-2,2,2-trifluoroethyl 4-methylbenzene-1-sulfonateC15H12ClF3O3SNSC142251DTXSID00301302AKOS016014459NSC-142251CS-0366624[1-(4-chlorophenyl)-2,2,2-trifluoro-ethyl] 4-methylbenzenesulfonate
Show more names
Benzenemethanol, 4-chloro-α-(trifluoromethyl)-, 1-(4-methylbenzenesulfonate)
Database identifiers
- CAS
907175-73-9- PubChem CID
- 285385
- DTXSID
DTXSID00301302
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 473
Physicochemical properties
- Boiling point
- 441.8 · 441.8±45.0 °C(Predicted)
- Density
- 1.402 · 1.402±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
Chemistry & industry
Suppliers4 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
浙江雅辰药物科技股份有限公司13674959855 13674959855 · [email protected]
郑州药领医药科技有限公司13526569071 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 18917919676 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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