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3-Fluorobenzotrifluoride CAS NO 401-80-9


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CAS No.:401-80-9

Grade:Pharmacy Grade

Content:99.9%

Brand:Customizable

Packaging:Customizable

Description

3-Fluorobenzotrifluoride is a versatile fluorinated aromatic building block of significant industrial importance. Its unique structure, combining fluorine and trifluoromethyl substituents, imparts valuable properties such as enhanced lipophilicity, metabolic stability, and chemical inertness, making it a critical intermediate in advanced synthesis. This compound is essential for R&D and production chemists in the pharmaceutical, agrochemical, and specialty materials sectors seeking to develop novel active ingredients and functional compounds.

Application

  • Pharmaceutical Intermediate: A key synthon for the development of active pharmaceutical ingredients (APIs), particularly in medicinal chemistry for introducing fluorine atoms to modulate bioavailability and metabolic profile.
  • Agrochemical Synthesis: Used in the manufacture of advanced herbicides, fungicides, and pesticides, where the fluorine moiety enhances biological activity and environmental persistence.
  • Liquid Crystal & OLED Materials: Serves as a precursor in the synthesis of fluorinated compounds for electronic displays and organic light-emitting diodes (OLEDs), improving charge transport and stability.
  • Polymer & Resin Modification: Employed to introduce fluorine-containing groups into polymers, enhancing their chemical resistance, thermal stability, and surface properties.
  • Organic Synthesis & Catalysis: Acts as a versatile reagent in cross-coupling reactions (e.g., Suzuki, Buchwald-Hartwig) and as a ligand precursor in organometallic catalysis.
  • Dye & Pigment Manufacturing: Utilized to create novel fluorinated dyes and pigments with improved color fastness and solubility characteristics.

Basic Information

Product Name 3-Fluorobenzotrifluoride
CAS No. 401-80-9
Molecular Formula C7H4F4
Molecular Weight 164.10 g/mol
Synonyms α,α,α-Trifluoro-m-fluorotoluene; 1-Fluoro-3-(trifluoromethyl)benzene; m-Fluorobenzotrifluoride; 3-(Trifluoromethyl)fluorobenzene; m-Trifluoromethylfluorobenzene; 3-Fluoro-α,α,α-trifluorotoluene; Benzene, 1-fluoro-3-(trifluoromethyl)-; m-Fluoro(trifluoromethyl)benzene
EINECS 206-930-4

Quality Control

Our 3-Fluorobenzotrifluoride is manufactured under a strict quality management system. Every batch undergoes rigorous analytical testing, including GC, HPLC, and NMR, to ensure high purity and consistent performance. We provide comprehensive Certificates of Analysis (COA) with each shipment, detailing all critical parameters. Our production adheres to ISO 9001 standards, and we support our global customers with full regulatory documentation for REACH, TSCA, and other international chemical inventories.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, well-ventilated area away from incompatible materials such as strong bases and fluorides. Due to its highly volatile nature, ensure containers are kept tightly sealed and at a stable temperature, ideally between 15-25°C. Keep away from heat, sparks, and open flame.

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) 1.30 - 1.35 g/mL
Refractive Index (n20D) 1.390 - 1.400
Related Substances (GC) Total impurities ≤ 2.0%

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

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