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3-Bromo-2,5,6-Trifluorobenzoic Acid CAS NO 118829-12-2
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CAS No.:118829-12-2
Grade:Pharmacy Grade
Content:99.9%
Brand:Customizable
Packaging:Customizable
Description
3-Bromo-2,5,6-Trifluorobenzoic Acid is a high-purity fluorinated aromatic building block of significant interest in advanced organic synthesis. Its unique structure, featuring both bromine and fluorine substituents, makes it a versatile precursor for constructing complex molecules with tailored electronic and steric properties. This compound is primarily utilized by R&D chemists and process development scientists in the pharmaceutical and agrochemical industries for the development of new active ingredients.
Application
- Pharmaceutical Intermediate: A key synthon for the synthesis of novel active pharmaceutical ingredients (APIs), particularly in drug discovery programs targeting CNS disorders and oncology.
- Agrochemical Synthesis: Serves as a critical building block for developing next-generation herbicides, fungicides, and insecticides with improved efficacy and environmental profiles.
- Liquid Crystal & OLED Materials: Used in the research and production of advanced electronic materials, where its fluorine atoms contribute to desired dielectric and luminescent properties.
- Cross-Coupling Reactions: The bromine substituent acts as an excellent handle for palladium-catalyzed reactions (e.g., Suzuki, Stille), enabling rapid diversification of the benzoic acid core.
- Fluorine Chemistry Research: An important reagent for studying structure-activity relationships (SAR) and introducing fluorine atoms into complex molecular architectures.
- Custom Synthesis & Contract Manufacturing: Supplied to CDMOs (Contract Development and Manufacturing Organizations) for the production of bespoke compounds and scaled-up processes.
Basic Information
| Product Name | 3-Bromo-2,5,6-Trifluorobenzoic Acid |
| CAS No. | 118829-12-2 |
| Molecular Formula | C7H2BrF3O2 |
| Molecular Weight | 260.99 g/mol |
| Synonyms | 2,5,6-Trifluoro-3-bromobenzoic Acid; Benzoic acid, 3-bromo-2,5,6-trifluoro-; 3-Bromo-2,5,6-trifluorobenzoic acid; 118829-12-2; 2,5,6-Trifluoro-3-bromobenzoic acid; 3-Br-2,5,6-F3-BA |
| EINECS | Contact for details |
Quality Control
Every batch of 3-Bromo-2,5,6-Trifluorobenzoic Acid is manufactured and tested under a strict quality management system. We provide comprehensive analytical data to ensure the material meets the high-purity standards required for sensitive synthetic applications. A Certificate of Analysis (COA) detailing purity, identity, and impurity profiles by HPLC, NMR, and other relevant techniques is supplied with each shipment.
Storage
Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at room temperature (15-25°C). This product is hygroscopic (moisture-sensitive) and must be kept under dry, inert conditions to maintain stability and purity. Keep away from strong bases and oxidizing agents.
Specification
| Item | Specification |
|---|---|
| Appearance | White to off-white crystalline powder |
| Identification (IR) | Conforms to structure |
| Identification (NMR) | Conforms to structure |
| Assay (HPLC) | ≥98.0% |
| Water Content (KF) | ≤0.5% |
| Residue on Ignition | ≤0.1% |
| Single Unknown Impurity (HPLC) | ≤0.5% |
| Total Impurities (HPLC) | ≤2.0% |
Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.
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