1. Primary Information
| English name: | 4-Trifluoromethylsalicylic acid |
| CAS No.: | 1246817-12-8 |
| Molecular formula: | C8H5F3O3 |
| Molecular weight: | 206.12 g/mol |
| SMILES: | C1=CC(=C(C=C1C(F)(F)F)O)C(=O)O |
| Structural class: | |
| Other identifiers: |
2-hydroxy-4-trifluoromethylbenzoic acid 4-TFMSA 4-trifluoromethylsalicylic acid HTB |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | - | 14160 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
2-hydroxy-4-(trifluoromethyl)benzoic acid
4.2 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)
4.3 InChIKey
XMLFPUBZFSJWCN-UHFFFAOYSA-N
4.4 Canonical SMILES
C1=CC(=C(C=C1C(F)(F)F)O)C(=O)O
4.5 Isomeric SMILES
-
4.6 SDF file
Coming soon
5. Spectroscopic data
5.1 13C nuclear magnetic resonance (13C NMR)
5.2 1H nuclear magnetic resonance (1H NMR)
5.3 Mass spectrometry (MS)
Coming soon
5.4 Infrared spectroscopy (IR)
Coming soon
5.5 Ultraviolet/visible spectroscopy (UV/Vis)
Coming soon
