2-Chloro-4,5-difluorobenzoic acid CAS 110877-64-0
Introduction：Basic information about 2-Chloro-4,5-difluorobenzoic acid CAS 110877-64-0, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
2-Chloro-4,5-difluorobenzoic acid Basic information
| Product Name: | 2-Chloro-4,5-difluorobenzoic acid |
| Synonyms: | RARECHEM AL BO 1000;TIMTEC-BB SBB003616;2-CHLORO-4,5-DIFLUOROBENZOIC ACID;2-CHLORO-4 5-DIFLUOROBENZENE ACID 98%;2-Chloro-4,5-difluorobenzoic acid, 99+%;2-Chloro-4,5-difluorobenzoic acid 99%;2-Chloride-4,5-Difluoride Benzoic Acids;2-chloro-4,5-difluorophenyl acid |
| CAS: | 110877-64-0 |
| MF: | C7H3ClF2O2 |
| MW: | 192.55 |
| EINECS: | 405-380-5 |
| Product Categories: | Fluorine series;Benzoic acid;C7;Carbonyl Compounds;Carboxylic Acids;Aromatic compound;Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts |
| Mol File: | 110877-64-0.mol |
2-Chloro-4,5-difluorobenzoic acid Chemical Properties
| Melting point | 103-106 °C (lit.) |
| Boiling point | 258 °C |
| density | 1.4821 (estimate) |
| Fp | 257-259°C |
| storage temp. | Sealed in dry,Room Temperature |
| pka | 2.50±0.25(Predicted) |
| form | Fine Crystalline Powder |
| color | White |
| Water Solubility | 5.0 g/L (20 ºC) |
| BRN | 4247522 |
| InChI | InChI=1S/C7H3ClF2O2/c8-4-2-6(10)5(9)1-3(4)7(11)12/h1-2H,(H,11,12) |
| InChIKey | CGFMLBSNHNWJAW-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C1=CC(F)=C(F)C=C1Cl |
| CAS DataBase Reference | 110877-64-0(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xi,Xn |
| Risk Statements | 36/37/38-41-43-21/22-20/21/22 |
| Safety Statements | 26-39-36/37/39-36 |
| WGK Germany | 3 |
| HazardClass | IRRITANT |
| HS Code | 29163990 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Dam. 1 Skin Irrit. 2 STOT SE 3 |
| Uses | 2-Chloro-4,5-difluorobenzoic acid (CDFBA) is an important pharmaceutical and pesticide intermediate, mainly used in the production of novel antibacterial drugs such as fluopyridine and cardiovascular drugs. |
| Chemical Properties | white to light yellow crystal powder |
| Uses | 2-Chloro-4,5-difluorobenzoic acid is an important intermediate in medicinal compounds and pesticides. Lanthanide complexes with the 2-chloro-4,5-difluorobenzoate (2-cl-4,5-dfba) and 1,10-phenanthroline (phen), have been prepared and their crystal structures have been studied. Efficient synthesis of 2-chloro-4,5-difluorobenzoic acid v-difluororbenzene has been reported. |
| General Description | 2-Chloro-4,5-difluorobenzoic acid is an important intermediate in medicinal compounds and pesticides. Lanthanide complexes with the 2-chloro-4,5-difluorobenzoate (2-cl-4,5-dfba) and 1,10-phenanthroline (phen), have been prepared and their crystal structures have been studied. Efficient synthesis of 2-chloro-4,5-difluorobenzoic acid v-difluororbenzene has been reported. |
| Synthesis | 121872-94-4 110877-64-0 Example 2 Preparation of 2-chloro-4,5-difluorobenzoic acid: 280.4 g (0.4 mol) of 12% sodium hypochlorite aqueous solution was added to 19.1 g (0.1 mol) of 1-(2-chloro-4,5-difluorophenyl)ethanone. The reaction mixture was stirred under reflux conditions for 4 hours. After completion of the reaction, the reaction was cooled to room temperature and the pH was adjusted slowly and dropwise with concentrated hydrochloric acid to 1. The precipitated white crystals were dissolved with dichloromethane and the organic and aqueous phases were separated. The aqueous phase was extracted twice with dichloromethane and the organic phases were combined. The solvent was removed by distillation to give 16.4 g (yield: 85.1%) of 2-chloro-4,5-difluorobenzoic acid as white crystals. |
| References | [1] Organic Preparations and Procedures International, 1991, vol. 23, # 5, p. 655 - 658 [2] Patent: US4994610, 1991, A [3] Patent: US5093515, 1992, A [4] Organic Preparations and Procedures International, 1996, vol. 28, # 2, p. 245 - 246 [5] Patent: EP342849, 1990, A3 |
2-Chloro-4,5-difluorobenzoic acid Preparation Products And Raw materials
| Raw materials | 2'-Chloro-4',5'-difluoroacetophenone-->Sodium hypochlorite-->Hydrochloric acid-->Dichloromethane |
| Preparation Products | 1-Cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic Acid-->4-CHLORO-2,6-DIFLUOROBENZYL ALCOHOL |
