110877-64-0
2-Chloro-4,5-difluorobenzoic acid
CAS: 110877-64-0
Molecular Formula: C7H3ClF2O2
110877-64-0 - Names and Identifiers
| Name | 2-Chloro-4,5-difluorobenzoic acid |
| Synonyms | 405-380-5 110877-64-0 QVR BG DF EF TIMTEC-BB SBB003616 RARECHEM AL BO 1000 2-chloro-4,5-difluorobenzoate 2-chloro-4,5-difluorophenyl acid 2-CHLORO-4,5-DIFLUOROBENZOIC ACID 2-Chloro-4,5-difluorobenzoic acid 2-Chloride-4,5-Difluoride Benzoic Acids |
| CAS | 110877-64-0 |
| EINECS | 405-380-5 |
| InChI | InChI=1/C7H3ClF2O2/c8-4-2-6(10)5(9)1-3(4)7(11)12/h1-2H,(H,11,12)/p-1 |
110877-64-0 - Physico-chemical Properties
| Molecular Formula | C7H3ClF2O2 |
| Molar Mass | 192.55 |
| Density | 1.4821 (estimate) |
| Melting Point | 103-106 °C (lit.) |
| Boling Point | 258 °C |
| Flash Point | 257-259°C |
| Water Solubility | 5.0 g/L (20 ºC) |
| Vapor Presure | 0.00273mmHg at 25°C |
| Appearance | White powder |
| Color | White |
| BRN | 4247522 |
| pKa | 2.50±0.25(Predicted) |
| Storage Condition | Sealed in dry,Room Temperature |
| MDL | MFCD00077479 |
110877-64-0 - Risk and Safety
| Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and skin. R41 - Risk of serious damage to eyes R43 - May cause sensitization by skin contact R21/22 - Harmful in contact with skin and if swallowed. R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S39 - Wear eye / face protection. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S36 - Wear suitable protective clothing. |
| WGK Germany | 3 |
| HS Code | 29163990 |
| Hazard Class | IRRITANT |
110877-64-0 - Reference Information
| uses | 2-chloro-4, 5-difluorobenzoic acid (CDFBA) is an important pharmaceutical and pesticide intermediate, mainly used for the production of new antibacterial drugs fluoropyronidone acids and cardiovascular and cerebrovascular drugs. |
| preparation | according to literature reports and exploration test results, considering factors such as technology, economy and industrialization possibility, we have determined the synthesis route of synthesizing the target product with o-difluorobenzene (O-DFB) as raw material through three steps of chlorination, acylation and oxidation. The synthesis reaction formula is as follows: Figure 1 2-Chloro-4, 5-difluorobenzoic acid synthesis roadmap Chloroacetyl method uses 1-chloro-3, 4-difluorobenzene as raw material, and acetylates to obtain 2-Chloro-4, 5-difluorophenyl ketone, the yield is 82%; then oxidized with sodium hypochlorite to obtain 2-chloro-4, 5-difluorobenzoic acid, the yield is 85.1%. The carbon tetrachloride acylation method uses 2, 4-dichlorofluorobenzene as the raw material, acylates with carbon tetrachloride in the presence of aluminum trichloride to obtain 2, 4-dichloro-5-fluorotrichlorotoluene; ammonolysis to obtain 2, 4-dichloro-5-fluorobenzonitrile, then dimethyl sulfoxide as a solvent, and fluoroexchange with potassium fluoride to obtain 2-chloro-4, 5-benzonitrile; finally hydrolysis with sulfuric acid to obtain the product. 3/2-amino -4,5-difluorobenzoic acid method in acetonitrile medium with copper chloride, nitrite tert-butyl ester reaction product. |
Last Update：2024-04-09 02:00:06
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