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T-Butyl Trifluoroacetate CAS NO 400-52-2


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CAS No.:400-52-2

Grade:Pharmacy Grade

Content:99.9%

Brand:Customizable

Packaging:Customizable

Description

T-Butyl Trifluoroacetate is a versatile fluorinated organic ester, widely recognized for its utility as a powerful acylating and trifluoroacetylating agent in advanced organic synthesis. Its high volatility and reactivity make it a critical reagent for introducing the trifluoroacetyl group, a key moiety that can dramatically alter the physical and biological properties of target molecules. This compound is essential for researchers and process chemists in the pharmaceutical, agrochemical, and specialty chemical industries, where it is used in the synthesis of active pharmaceutical ingredients (APIs), advanced intermediates, and novel materials.

Application

  • Pharmaceutical Intermediate Synthesis: Key reagent for the trifluoroacetylation of amines and alcohols in the production of APIs and complex drug candidates.
  • Agrochemical Manufacturing: Used in the synthesis of fluorinated pesticides and herbicides, where the CF3 group enhances biological activity and environmental stability.
  • Peptide Chemistry: Serves as a protecting group for amino functions during solid-phase and solution-phase peptide synthesis.
  • Material Science: Employed in the development of fluorinated polymers and advanced materials with unique surface properties and chemical resistance.
  • Analytical Chemistry: Utilized as a derivatization agent in gas chromatography and mass spectrometry to improve the volatility and detection of analytes.
  • Organic Synthesis Building Block: A fundamental starting material for generating other trifluoroacetate esters and related fluorinated compounds.

Basic Information

Product Name T-Butyl Trifluoroacetate
CAS No. 400-52-2
Molecular Formula C6H9F3O2
Molecular Weight 170.13 g/mol
Synonyms tert-Butyl Trifluoroacetate; 2-Methyl-2-propyl Trifluoroacetate; Trifluoroacetic Acid tert-Butyl Ester; TFA-t-Butyl Ester; 1,1-Dimethylethyl Trifluoroacetate; tert-Butyl Perfluoroacetate; TBTA
EINECS 206-915-3

Quality Control

Our T-Butyl Trifluoroacetate is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including GC, NMR, and Karl Fischer titration, to ensure high purity and consistency. A comprehensive Certificate of Analysis (COA) detailing identity, purity, and impurity profiles is provided with every shipment to support your quality assurance and regulatory compliance needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, well-ventilated area away from heat sources and incompatible materials. Due to its highly volatile nature, ensure containers are kept tightly sealed when not in use to prevent evaporation and maintain product integrity. Recommended storage temperature is 2-8°C for long-term stability.

Specification

Item Specification
Appearance Colorless to pale yellow liquid
Identification (IR) Conforms to structure
Assay (GC) ≥ 98.0%
Water Content (KF) ≤ 0.5%
Density (at 20°C) 1.15 - 1.20 g/mL
Refractive Index (n20/D) 1.340 - 1.360

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

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