328-90-5
| Name | 4-Trifluoromethylsalicylic acid |
| CAS | 328-90-5 |
| EINECS(EC#) | 1312995-182-4 |
| Molecular Formula | C8H5F3O3 |
| MDL Number | MFCD01529657 |
| Molecular Weight | 206.12 |
| MOL File | 328-90-5.mol |
Chemical Properties
| Melting point | 178 °C |
| Boiling point | 286.4±40.0 °C(Predicted) |
| density | 1.539±0.06 g/cm3(Predicted) |
| vapor pressure | 0.013-0.076Pa at 25℃ |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | DMSO (Slightly), Methanol (Slightly) |
| form | neat |
| pka | 2.45±0.10(Predicted) |
| color | White to Off-White |
| InChI | InChI=1S/C8H5F3O3/c9-8(10,11)4-1-2-5(7(13)14)6(12)3-4/h1-3,12H,(H,13,14) |
| InChIKey | XMLFPUBZFSJWCN-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C1=CC=C(C(F)(F)F)C=C1O |
| LogP | 3.21 |
| CAS DataBase Reference | 328-90-5(CAS DataBase Reference) |
Safety Data
| Hazard Codes | Xi |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | WGK 2 |
| Hazard Note | Irritant |
| HazardClass | IRRITANT |
| HS Code | 29189900 |
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
| Hazard Classifications | Acute Tox. 3 Oral Aquatic Chronic 3 Eye Dam. 1 Skin Irrit. 2 |
