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Methyl 3-Bromo-4-(Trifluoromethyl)Benzoate CAS NO 455941-82-9
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CAS No.:455941-82-9
Grade:Pharmacy Grade
Content:99.9%
Brand:Customizable
Packaging:Customizable
Description
Methyl 3-Bromo-4-(Trifluoromethyl)Benzoate is a high-purity, multi-functional aromatic ester building block of significant importance in advanced organic synthesis. Its molecular structure, featuring both bromo and trifluoromethyl substituents, makes it a versatile intermediate for constructing complex molecules with tailored electronic and steric properties. This compound is primarily sought after by research chemists and process development scientists in the pharmaceutical and agrochemical industries for the synthesis of active ingredients and novel chemical entities.
Application
- Pharmaceutical Intermediate: A key precursor in the synthesis of active pharmaceutical ingredients (APIs), particularly those requiring halogenated and fluorinated aromatic systems for enhanced bioactivity and metabolic stability.
- Agrochemical Synthesis: Used in the development of advanced herbicides, fungicides, and insecticides, where the trifluoromethyl group is a critical motif for efficacy.
- Material Science Research: Serves as a building block for creating specialty polymers, liquid crystals, and organic electronic materials due to its unique electronic properties.
- Cross-Coupling Reactions: The bromo substituent makes it an excellent substrate for palladium-catalyzed cross-coupling reactions (e.g., Suzuki, Heck, Sonogashira) to form biaryl and other complex structures.
- Fluorine Chemistry: An important reagent for introducing the trifluoromethyl group into target molecules, a common strategy in modern medicinal and agrochemical design.
- Custom Synthesis & Contract Manufacturing: Supplied to CDMOs (Contract Development and Manufacturing Organizations) for use in custom synthesis projects and scale-up campaigns.
Basic Information
| Product Name | Methyl 3-Bromo-4-(Trifluoromethyl)Benzoate |
| CAS No. | 455941-82-9 |
| Molecular Formula | C9H6BrF3O2 |
| Molecular Weight | 283.04 g/mol |
| Synonyms | 3-Bromo-4-(trifluoromethyl)benzoic acid methyl ester; Methyl 3-bromo-α,α,α-trifluoro-p-toluate; Benzoic acid, 3-bromo-4-(trifluoromethyl)-, methyl ester; 3-Bromo-4-trifluoromethylbenzoic acid methyl ester |
| EINECS | Contact for details |
Quality Control
Our production of Methyl 3-Bromo-4-(Trifluoromethyl)Benzoate adheres to stringent in-process controls and final release testing to ensure batch-to-batch consistency and high purity. Every lot is analyzed using advanced techniques including HPLC, GC, and NMR spectroscopy. A comprehensive Certificate of Analysis (COA) detailing identity, purity, and impurity profiles is provided with each shipment, supporting your quality and regulatory requirements.
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). Keep away from heat, sparks, and open flame. Due to its light-sensitive nature, the container should be amber-colored or stored in a dark environment.
Specification
| Item | Specification |
|---|---|
| Appearance | White to off-white crystalline powder |
| Identification (IR) | Conforms to structure |
| Purity (HPLC) | ≥ 98.0% |
| Melting Point | Contact for details |
| Heavy Metals | < 10 ppm |
| Residual Solvents (GC) | Complies with ICH guidelines |
Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.
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