446-17-3
2,4,5-Trifluorobenzoic Acid
CAS: 446-17-3
Molecular Formula: C7H3F3O2
446-17-3 - Names and Identifiers
| Name | 2,4,5-Trifluorobenzoic Acid |
| Synonyms | 446-17-3 QVR BF DF EF RARECHEM AL BO 0258 2,4,5-trifluorobenzoate 2,4,5-Trilfuorobenzoic acid 2,4,5-Trifluorobenzoic Acid 2,4,5-TrifluoroBenzoicacidsolution 2,4-trifluorobenzoic acid and derivatives 2,4,5-TRIFLUOROBENZOIC ACID AND THE DERIVATIVES |
| CAS | 446-17-3 |
| EINECS | 610-198-6 |
| InChI | InChI=1/C7H3F3O2/c8-4-2-6(10)5(9)1-3(4)7(11)12/h1-2H,(H,11,12)/p-1 |
| InChIKey | AKAMNXFLKYKFOJ-UHFFFAOYSA-N |
446-17-3 - Physico-chemical Properties
| Molecular Formula | C7H3F3O2 |
| Molar Mass | 176.09 |
| Density | 1.4362 (estimate) |
| Melting Point | 94-96 °C (lit.) |
| Boling Point | 241.9±35.0 °C(Predicted) |
| Flash Point | 100.1°C |
| Solubility | Chloroform (Slightly), DMSO (Slightly) |
| Vapor Presure | 0.0188mmHg at 25°C |
| Appearance | Crystalline powder |
| Color | Off-White |
| BRN | 3257609 |
| pKa | 2.87±0.10(Predicted) |
| Storage Condition | Sealed in dry,Room Temperature |
| MDL | MFCD00013306 |
| Physical and Chemical Properties | melting point 97~98 ℃ |
| Use | Used as pharmaceutical intermediates, but also for the preparation of aviation, aerospace liquid crystal materials |
446-17-3 - 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. S24/25 - Avoid contact with skin and eyes. |
| WGK Germany | 3 |
| HS Code | 29163990 |
| Hazard Class | IRRITANT |
446-17-3 - Nature
Open Data Verified Data
white crystals. Melting point 100 °c.
Last Update：2024-01-02 23:10:35
446-17-3 - Preparation Method
Open Data Verified Data
- 2, 4-fluoroaniline method product yield was 80.2%.
- 1,2,4 -- fluorobenzene method the first-step reaction yield was 89%, and the second-step yield was 90. 1%.
Last Update：2022-01-01 10:43:19
446-17-3 - Use
Open Data Verified Data
This product is a fine organic fluorine synthesis intermediate, which can be used in the synthesis of temafloxacin and liquid crystals.
Last Update：2022-01-01 10:43:19
446-17-3 - Safety
Open Data Verified Data
It was packed with a plastic bag for external use in a cardboard barrel, 25kg/barrel.
Last Update：2022-01-01 10:43:20
446-17-3 - Reference Information
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| use | this product is a fine organic fluorine synthesis intermediate, which can be used for the synthesis of temafloxacin and liquid crystal. Used as a pharmaceutical intermediate, and also used to prepare liquid crystal materials for aviation and aerospace |
| Production method | 1. Using tetrachloro-isophthalonitrile (I. e. chlorothalonil) as the starting material, it is fluorinated, selectively reduced, and partially defluorinated into 2,4, 5-trifluoro-isophthalonitrile, then hydrolyzed into 2,4, 5-trifluoro-isophthalic acid, and finally selectively decarboxylated to obtain the product. 2. 2,4-difluoroaniline method. The yield of the product was 80.2%. 3. 1,2,4-trifluorobenzene method. The yield of the first reaction is 89%, and the yield of the second reaction is 90.1%. |
Last Update：2024-04-09 21:01:54
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