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5-Bromo-1,2-Dimethyl-3-(Trifluoromethyl)Benzene CAS NO 80245-29-0
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CAS No.:80245-29-0
Grade:Pharmacy Grade
Content:99.9%
Brand:Customizable
Packaging:Customizable
Description
5-Bromo-1,2-Dimethyl-3-(Trifluoromethyl)Benzene is a high-value, multi-functional aromatic building block characterized by its bromine and trifluoromethyl substituents. This compound matters for its role as a critical intermediate in advanced organic synthesis, enabling the introduction of both halogen and fluorine-containing groups into complex molecular architectures. It is primarily needed by R&D chemists and process development scientists in the pharmaceutical and agrochemical industries for creating novel active ingredients and fine chemicals.
Application
- Pharmaceutical Intermediate: Serves as a key precursor in the synthesis of active pharmaceutical ingredients (APIs), particularly those requiring halogenated and fluorinated aromatic cores for enhanced bioavailability and metabolic stability.
- Agrochemical Synthesis: Used in the development of advanced herbicides, fungicides, and insecticides, where the bromine atom offers a site for further functionalization and the CF3 group improves lipophilicity.
- Material Science Research: Employed in the creation of specialty polymers, liquid crystals, and organic electronic materials due to its ability to modify electronic properties and intermolecular interactions.
- Cross-Coupling Reactions: Acts as a competent substrate in palladium-catalyzed cross-coupling reactions (e.g., Suzuki, Heck, Sonogashira) thanks to the reactive bromine substituent.
- Fluorine Chemistry Building Block: Provides a stable source of a trifluoromethylated benzene ring for further derivatization in medicinal and discovery chemistry programs.
- Custom Synthesis & Contract Manufacturing: Supplied to CDMOs (Contract Development and Manufacturing Organizations) for the production of bespoke compounds and development candidates.
Basic Information
| Product Name | 5-Bromo-1,2-Dimethyl-3-(Trifluoromethyl)Benzene |
| CAS No. | 80245-29-0 |
| Molecular Formula | C9H8BrF3 |
| Molecular Weight | 253.06 g/mol |
| Synonyms | 3-Bromo-4,5-dimethylbenzotrifluoride; 1-Bromo-2,3-dimethyl-4-(trifluoromethyl)benzene; 5-Bromo-1,2-dimethyl-3-(trifluoromethyl)benzene; 80245-29-0; 4,5-Dimethyl-3-(trifluoromethyl)bromobenzene; 2,3-Dimethyl-4-(trifluoromethyl)phenyl bromide |
| EINECS | Contact for details |
Quality Control
Our 5-Bromo-1,2-Dimethyl-3-(Trifluoromethyl)Benzene is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC, GC, NMR, and mass spectrometry, to ensure identity, purity, and consistency. We provide comprehensive Certificates of Analysis (COA) with every shipment, detailing all critical specifications. Our quality commitment aligns with cGMP principles for pharmaceutical intermediates, ensuring reliability for your most demanding synthesis workflows.
Storage
Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated place at room temperature (15-25°C). Keep away from strong acids and incompatible organic solvents. For long-term storage, consider under an inert atmosphere to maintain optimal purity.
Specification
| Item | Specification |
|---|---|
| Appearance | White to off-white crystalline powder or solid |
| Identification (IR) | Conforms to structure |
| Purity (HPLC) | ≥ 97.0% |
| Melting Point | Contact for details |
| Water Content (KF) | ≤ 0.5% |
| Residue on Ignition | ≤ 0.1% |
Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.
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