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| IUPAC Name: | 2,2,2-trifluoroethyl 4-methylbenzenesulfonate |
| Description: | 2,2,2-Trifluoroethyl p-toluenesulfonate (CAS# 433-06-7) is a trifluoroethylation agent used in the preparation of 2,2,2-trifluoroethyl phenyl sulfone, a potential 2,2,2-trifluoroethyl pronucleophile. |
| Molecular Weight: | 254.23 |
| Molecular Formula: | C9H9F3O3S |
| Canonical SMILES: | CC1=CC=C(C=C1)S(=O)(=O)OCC(F)(F)F |
| InChI: | InChI=1S/C9H9F3O3S/c1-7-2-4-8(5-3-7)16(13,14)15-6-9(10,11)12/h2-5H,6H2,1H3 |
| InChI Key: | IGKCQDUYZULGBM-UHFFFAOYSA-N |
| Boiling Point: | 87-92 °C (0.1 torr) |
| Density: | 1 g/cm3 |
| MDL: | MFCD00000443 |
| LogP: | 3.34340 |
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