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| IUPAC Name: | 3-(trifluoromethylsulfanyl)benzoic acid |
| Description: | 3-(Trifluoromethylthio)benzoic acid (CAS# 946-65-6) is a useful research chemical. |
| Molecular Weight: | 222.18 |
| Molecular Formula: | C8H5F3O2S |
| Canonical SMILES: | C1=CC(=CC(=C1)SC(F)(F)F)C(=O)O |
| InChI: | InChI=1S/C8H5F3O2S/c9-8(10,11)14-6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13) |
| InChI Key: | IVGAPIVNQABETQ-UHFFFAOYSA-N |
| Boiling Point: | 229.5 °C at 760 mmHg |
| Melting Point: | 71-74 °C |
| Purity: | 98 % |
| Density: | 1.5 g/cm3 |
| Appearance: | White powder, crystals, crystalline powder and/or chunks |
| Storage: | Sealed in dry, Room Temperature |
| MDL: | MFCD00236337 |
| LogP: | 2.99670 |
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