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3-Bromobenzotrifluoride CAS NO 401-78-5


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CAS No.:401-78-5

Grade:Pharmacy Grade

Content:99.9%

Brand:Customizable

Packaging:Customizable

Description

3-Bromobenzotrifluoride is a versatile halogenated aromatic building block essential for advanced organic synthesis. Its molecular structure, featuring both bromine and trifluoromethyl substituents, makes it a critical intermediate for introducing specific functional groups into complex molecules. This compound is primarily used by research chemists and process development scientists in the pharmaceutical, agrochemical, and material science industries to create novel active ingredients and specialty chemicals.

Application

  • Pharmaceutical Intermediate: Key building block for the synthesis of active pharmaceutical ingredients (APIs), particularly in the development of compounds with fluorinated aromatic systems.
  • Agrochemical Synthesis: Used in the production of advanced herbicides, fungicides, and pesticides, where the trifluoromethyl group enhances biological activity and metabolic stability.
  • Liquid Crystal & OLED Material Precursor: Serves as a starting material for synthesizing fluorinated aromatic compounds used in electronic displays and organic light-emitting diodes.
  • Cross-Coupling Reactions: An excellent substrate for Suzuki, Stille, and other palladium-catalyzed cross-coupling reactions to form biaryl structures.
  • Ligand & Catalyst Development: Utilized in the preparation of specialized phosphine ligands and organometallic catalysts.
  • Polymer & Resin Modifier: Incorporated into polymer chains to alter physical properties such as solubility, thermal stability, and chemical resistance.

Basic Information

Product Name 3-Bromobenzotrifluoride
CAS No. 401-78-5
Molecular Formula C7H4BrF3
Molecular Weight 225.01 g/mol
Synonyms 1-Bromo-3-(trifluoromethyl)benzene; m-Bromobenzotrifluoride; 3-Bromo-α,α,α-trifluorotoluene; 3-Bromo(trifluoromethyl)benzene; m-Bromo-α,α,α-trifluorotoluene; (3-Bromophenyl)trifluoromethane; 3-Trifluoromethylphenyl bromide; m-Trifluoromethylphenyl bromide
EINECS 206-936-5

Quality Control

Our 3-Bromobenzotrifluoride is manufactured under strict quality management systems. Every batch undergoes comprehensive analytical testing, including GC, HPLC, and NMR, to ensure high purity and consistency. A detailed Certificate of Analysis (COA) is provided with each shipment, confirming compliance with agreed specifications. We support cGMP and ISO standards for pharmaceutical and industrial applications.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated area away from incompatible materials such as strong acids and organic solvents. Recommended storage temperature is between 15°C and 25°C. Keep container tightly sealed when not in use to prevent moisture absorption and volatilization.

Specification

Item Specification
Appearance Clear, colorless to pale yellow liquid
Identification (IR) Conforms to structure
Assay (GC) ≥ 98.0%
Water Content (KF) ≤ 0.1%
Density (at 20°C) 1.60 - 1.65 g/mL
Refractive Index (n20D) 1.460 - 1.470

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.

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