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| IUPAC Name: | 4-(trifluoromethylsulfanyl)benzoic acid |
| Description: | 4-(Trifluoromethylthio)benzoic acid (CAS# 330-17-6) is a useful research chemical. |
| Molecular Weight: | 222.18 |
| Molecular Formula: | C8H5F3O2S |
| Canonical SMILES: | C1=CC(=CC=C1C(=O)O)SC(F)(F)F |
| InChI: | InChI=1S/C8H5F3O2S/c9-8(10,11)14-6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13) |
| InChI Key: | UMOGQQWVQUQTQA-UHFFFAOYSA-N |
| Boiling Point: | 227.6 °C at 760 mmHg |
| Melting Point: | 159.5-162.5 °C |
| Purity: | 95 % |
| Density: | 1.5 g/cm3 |
| Appearance: | White solid |
| MDL: | MFCD00040906 |
| LogP: | 2.99670 |
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