2,4,5-Trifluorobenzoic acid
- CAS NO.：446-17-3
- Empirical Formula: C7H3F3O2
- Molecular Weight: 176.09
- MDL number: MFCD00013306
- EINECS: 610-198-6
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-07-29 15:17:36
What is 2,4,5-Trifluorobenzoic acid?
Chemical properties
white to light yellow crystal powder
The Uses of 2,4,5-Trifluorobenzoic acid
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.
Properties of 2,4,5-Trifluorobenzoic acid
| 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 |
| CAS DataBase Reference | 446-17-3(CAS DataBase Reference) |
| EPA Substance Registry System | Benzoic acid, 2,4,5-trifluoro- (446-17-3) |
Safety information for 2,4,5-Trifluorobenzoic acid
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P332+P313:IF SKIN irritation occurs: Get medical advice/attention. P337+P313:IF eye irritation persists: Get medical advice/attention. |
Computed Descriptors for 2,4,5-Trifluorobenzoic acid
| InChIKey | AKAMNXFLKYKFOJ-UHFFFAOYSA-N |
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