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130025-33-1 | 5-CHLORO-2,4-DIFLUOROBENZOIC ACID
Purchase CAS:130025-33-1 | 5-CHLORO-2,4-DIFLUOROBENZOIC ACID,view related peer-reviewed papers,technical documents,similar products,MSDS & more.5-Chloro-2,4-difluorobenzoic acid is a chemical compound with the molecular formula C7H3ClF2O2 . It is an important intermediate in medicinal compounds and pesticides ....
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CAS:130025-33-1 | 5-CHLORO-2,4-DIFLUOROBENZOIC ACID,Description
5-Chloro-2,4-difluorobenzoic acid is a chemical compound with the molecular formula C7H3ClF2O2. It is an important intermediate in medicinal compounds and pesticides.
Synthesis Analysis
5-Chloro-2,4-difluorobenzoic acid can be synthesized from commercially available compounds through a sequence of reactions involving nitration, selective reduction, diazotisation, and chlorination.
Molecular Structure Analysis
The molecular structure of 5-Chloro-2,4-difluorobenzoic acid has been investigated using experimental techniques such as FT-IR, FT-Raman, and UV, as well as quantum chemical calculations. More detailed information about its structure can be found on various chemical databases.
Physical And Chemical Properties Analysis
5-Chloro-2,4-difluorobenzoic acid is a solid substance. Its predicted boiling point is 272.6±35.0 °C, and its predicted density is 1.573±0.06 g/cm3. The compound should be stored in a dry room at room temperature.
Scientific Research Applications
Analytical Methods
5-Chloro-2,4-difluorobenzoic acid and its related compounds are analyzed using liquid chromatography. This method is particularly useful in identifying unique isomeric impurities in commercially produced compounds. For instance, 2-Chloro-4,5-difluorobenzoic acid (CDFBA), closely related to 5-Chloro-2,4-difluorobenzoic acid, has been effectively separated and analyzed using this technique, highlighting the method's precision and reliability for analyzing such compounds (Elrod et al., 1993).
Synthesis of Related Compounds
Synthesis of related compounds, such as 4-Chloro-2,5-difluorobenzoic acid and 3-chloro-2,4-difluoro-5-hydroxybenzoic acid, utilizes 5-Chloro-2,4-difluorobenzoic acid as a key intermediate. These syntheses involve various reactions like Sandmeyer reaction, bromination, Grignard reaction, nitration, and esterification. Such synthetic methods are crucial in the production of antimicrobial drugs and other pharmaceutical applications (Zhao, 2011), (Zhang et al., 2020).
Safety And Hazards
5-Chloro-2,4-difluorobenzoic acid is classified as Acute Tox. 4 Oral according to the GHS07 classification. It should be handled with care to avoid contact with skin and eyes, and formation of dust and aerosols
More Information
| Product Name: | 5-CHLORO-2,4-DIFLUOROBENZOIC ACID |
| Synonyms: | 5-CHLORO-2,4-DIFLUOROBENZOIC ACID;5-Chloro-2,4-Difluorobenzoic;Benzoic acid, 5-chloro-2,4-difluoro-;100582 |
| CAS: | 130025-33-1 |
| MF: | C7H3ClF2O2 |
| MW: | 192.55 |
| EINECS: | |
| Product Categories: | Benzoic acid |
| Mol File: | 130025-33-1.mol |
| 5-CHLORO-2,4-DIFLUOROBENZOIC ACID Chemical Properties |
| Boiling point | 272.6±35.0 °C(Predicted) |
| density | 1.573±0.06 g/cm3(Predicted) |
| storage temp. | Sealed in dry,Room Temperature |
| pka | 2.84±0.10(Predicted) |
| form | powder |
| color | White |
| CAS DataBase Reference | 130025-33-1(CAS DataBase Reference) |
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