|
|
| | 2,4,5-Trifluorobenzoic acid Basic information |
| Product Name: | 2,4,5-Trifluorobenzoic acid | | Synonyms: | 2,4-trifluorobenzoic acid and derivatives;2,4,5-TRIFLUOROBENZOIC ACID AND THE DERIVATIVES;2,4,5-TrifluoroBenzoicacidsolution;2,4,5-Trifluorobenzoic acid, 99.5+%;2,4,5-Trifluorobenzoic acid 20% solution;2,4,5-Trifluorobenzoic acid 99%;RARECHEM AL BO 0258;2,4,5-Trifluorobenzoic acid ,99% | | CAS: | 446-17-3 | | MF: | C7H3F3O2 | | MW: | 176.09 | | EINECS: | 610-198-6 | | Product Categories: | Pyridines ,Halogenated Heterocycles;C7;Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;Benzoic acid;Carbonyl Compounds;Carboxylic Acids;blocks;Carboxes;FluoroCompounds;Miscellaneous;bc0001;OLED | | Mol File: | 446-17-3.mol |  |
| | 2,4,5-Trifluorobenzoic acid Chemical Properties |
| Melting point | 94-96 °C (lit.) | | Boiling point | 241.9±35.0 °C(Predicted) | | density | 1.4362 (estimate) | | storage temp. | Sealed in dry,Room Temperature | | solubility | Chloroform (Slightly), DMSO (Slightly) | | form | Solid | | pka | 2.87±0.10(Predicted) | | color | Off-White | | BRN | 3257609 | | InChI | InChI=1S/C7H3F3O2/c8-4-2-6(10)5(9)1-3(4)7(11)12/h1-2H,(H,11,12) | | InChIKey | AKAMNXFLKYKFOJ-UHFFFAOYSA-N | | SMILES | C(O)(=O)C1=CC(F)=C(F)C=C1F | | CAS DataBase Reference | 446-17-3(CAS DataBase Reference) | | EPA Substance Registry System | Benzoic acid, 2,4,5-trifluoro- (446-17-3) |
| Hazard Codes | Xi | | Risk Statements | 36/37/38 | | Safety Statements | 26-36-24/25 | | WGK Germany | 3 | | TSCA | TSCA listed | | HazardClass | IRRITANT | | HS Code | 29163990 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Eye Irrit. 2
Skin Irrit. 2 |
| | 2,4,5-Trifluorobenzoic acid Usage And Synthesis |
| Chemical Properties | white to light yellow crystal powder | | Uses | 2,4,5-Trifluorobenzoic Acid is a useful synthetic intermediate. It can be used to synthesize quinolone antibacterial agnts. | | Preparation | Synthesis of 2,4,5-trifluorobenzoic acid: Tetrachloroisophthalonitrile was used as the starting material, which was fluoridated, selectively reduced, and partially defluoridated to obtain 2,4,5-trifluoroisophthalonitrile. This compound was hydrolyzed to form 2,4,5-trifluoroisophthalic acid. Then, selective decarboxylation of 2,4,5-trifluorobenzoic acid was carried out to prepare 2,4,5-trifluorobenzoic acid. | | Synthesis Reference(s) | Journal of Medicinal Chemistry, 34, p. 168, 1991 DOI: 10.1021/jm00105a025 | | General Description | 2,4,5-Trifluorobenzoic acid is an important quinolone antibacterial intermediate. It is used in the synthesis of Temafloxacin and liquid crystals, among others. |
| | 2,4,5-Trifluorobenzoic acid Preparation Products And Raw materials |
|