2,3,4,5-TETRAFLUOROBENZOIC ACID
2,3,4,5-Tetrafluorobenzoic acid
CAS: 1201-31-6
Molecular Formula: C7H2F4O2
2,3,4,5-TETRAFLUOROBENZOIC ACID - Names and Identifiers
| Name | 2,3,4,5-Tetrafluorobenzoic acid |
| Synonyms | trifluoromethanesulfonate 2,3,4,5-Tetrafluorobenzoic 2,3,4,5-tetrafluorobenzoate 2,3,4,5-Tetrafluorobezoic acid 2,3,4,5-TETRAFLUOROBEZOIC ACID 2,3,4,5-Tetrafluorobenzoic acid 2,3,4,5-TETRAFLUOROBENZOIC ACID bis(3-methylimidazol-3-ium-1-yl)methanone 2,3,4,5-TETRAFLUOROBENZOIC ACIDLEVOFLOXACIN |
| CAS | 1201-31-6 |
| EINECS | 601-673-9 |
| InChI | InChI=1/C9H12N4O.CHF3O3S/c1-10-3-5-12(7-10)9(14)13-6-4-11(2)8-13;2-1(3,4)8(5,6)7/h3-8H,1-2H3;(H,5,6,7)/q+2;/p-1 |
| InChIKey | SFKRXQKJTIYUAG-UHFFFAOYSA-N |
2,3,4,5-TETRAFLUOROBENZOIC ACID - Physico-chemical Properties
| Molecular Formula | C7H2F4O2 |
| Molar Mass | 194.08 |
| Density | 1.5165 (estimate) |
| Melting Point | 85-87 °C (lit.) |
| Boling Point | 135-137 °C(Press: 23 Torr) |
| Solubility | DMSO (Slightly), Methanol (Slightly) |
| Appearance | Colorless crystal |
| Color | White |
| BRN | 2052670 |
| pKa | 2.53±0.10(Predicted) |
| Storage Condition | Sealed in dry,Room Temperature |
| MDL | MFCD00009613 |
| Physical and Chemical Properties | White or almost white crystals with melting point of 85-88°C |
| Use | Is an important intermediate for the preparation of fluoroquinolone antibacterial drugs such as ofloxacin, can also be used for pesticides, liquid crystal preparation |
2,3,4,5-TETRAFLUOROBENZOIC ACID - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. S37/39 - Wear suitable gloves and eye/face protection |
| WGK Germany | 3 |
| HS Code | 29163990 |
| Hazard Class | IRRITANT |
2,3,4,5-TETRAFLUOROBENZOIC ACID - Nature
Open Data Verified Data
colorless plate-like crystals. Melting point 85~87 °c.
Last Update：2024-01-02 23:10:35
2,3,4,5-TETRAFLUOROBENZOIC ACID - Preparation Method
Open Data Verified Data
- phthalic anhydride method
- 3,4,5,6 tetrafluorophthalic acid method will be a certain amount of 3,4,5,6 tetrafluorophthalic acid and H20 at 190 deg C under stirring for 5H, the reaction solution was filtered, washed and dried to obtain a part of the product. The product in the filtrate was extracted with diethyl ether, and the final product yield was 94.5%.
Last Update：2022-01-01 10:43:21
2,3,4,5-TETRAFLUOROBENZOIC ACID - Use
Open Data Verified Data
This product is a pharmaceutical intermediate for the synthesis of the third generation of quinolone antibacterial lomefloxacin.
Last Update：2022-01-01 10:43:20
2,3,4,5-TETRAFLUOROBENZOIC ACID - Safety
Open Data Verified Data
packaging with a plastic bag for external use paper drum, 250kg/barrel.
Last Update：2022-01-01 10:43:21
2,3,4,5-TETRAFLUOROBENZOIC ACID - Reference Information
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| use | this product is a pharmaceutical intermediate, used to synthesize lomefloxacin, the third generation quinolone antibacterial drug. It can also be used for pesticide, liquid crystal preparation, etc. It is an important intermediate for the preparation of fluoroquinolone antibacterial drugs such as ofloxacin. It can also be used for pesticides, liquid crystal preparation, etc. Organic synthesis, pharmaceutical synthesis, liquid crystal, pesticide and other intermediates can be used for the synthesis of fluoroquinolone antibacterial drugs such as ofloxacin. |
| production method | 1. phthalic anhydride method. 2. A certain amount of 3,4,5,6-tetrafluoro-phthalic acid and H2O are stirred at 190 ℃ for 5h by the method of 2.3, 4,5,6-tetrafluoro-phthalic acid. The reaction solution is filtered, washed and dried to obtain a part of the product, and then the product in the filtrate is extracted with ether. The final product yield is 94.5%. |
Last Update：2024-04-10 22:29:15
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