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Benzoic Acid, 4-(2,2,2-Trifluoro-1-Hydroxyethyl)-, (S)- (9Ci) CAS NO 130534-97-3


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CAS No.:130534-97-3

Grade:Pharmacy Grade

Content:99.9%

Brand:Customizable

Packaging:Customizable

Description

Benzoic Acid, 4-(2,2,2-Trifluoro-1-Hydroxyethyl)-, (S)- (9Ci) is a high-value, optically active fluorinated benzoic acid derivative. This compound matters as a sophisticated chiral building block, enabling the synthesis of complex molecules with precise stereochemistry for advanced applications. It is primarily needed by research institutions and pharmaceutical companies engaged in the development of new active pharmaceutical ingredients (APIs), agrochemicals, and specialty materials.

Application

  • Pharmaceutical Intermediate: A key chiral synthon in the research and development of novel therapeutic agents, particularly in central nervous system (CNS) and metabolic disease drug candidates.
  • Agrochemical Synthesis: Used in the creation of advanced, fluorinated pesticides and herbicides where the trifluoromethyl and chiral hydroxyethyl groups impart unique biological activity and stability.
  • Liquid Crystal & OLED Materials: Serves as a precursor for fluorinated components in electronic display materials, where its structure can influence dielectric anisotropy and molecular alignment.
  • Asymmetric Catalyst Ligand: The chiral center makes it a potential candidate for developing novel ligands used in asymmetric catalysis for enantioselective synthesis.
  • Advanced Polymer Monomer: Can be incorporated into specialty polymers to introduce fluorine atoms and chiral centers, modifying material properties like chemical resistance and optical activity.
  • Chemical Research & Development: Employed in academic and industrial R&D labs for methodological studies in fluorination chemistry and stereoselective synthesis.

Basic Information

Item Details
Product Name Benzoic Acid, 4-(2,2,2-Trifluoro-1-Hydroxyethyl)-, (S)- (9Ci)
CAS No. 130534-97-3
Molecular Formula C9H7F3O3
Molecular Weight 220.15 g/mol
Synonyms (S)-4-(2,2,2-Trifluoro-1-hydroxyethyl)benzoic acid; (S)-α-(Trifluoromethyl)-4-hydroxybenzeneacetic acid; (S)-2,2,2-Trifluoro-1-(4-carboxyphenyl)ethanol; (S)-Trifluoromethyl-4-carboxyphenylmethanol; p-[(S)-2,2,2-Trifluoro-1-hydroxyethyl]benzoic acid; (S)-TFEBA; (S)-HBTFA; Optically active trifluoromethyl hydroxyethyl benzoic acid
EINECS Contact for details

Quality Control

Every batch of our Benzoic Acid, 4-(2,2,2-Trifluoro-1-Hydroxyethyl)-, (S)- (9Ci) undergoes rigorous analytical testing to ensure identity, purity, and enantiomeric excess meet the stringent requirements of advanced synthetic applications. Our products are manufactured and tested in facilities adhering to cGMP principles. A comprehensive Certificate of Analysis (COA) detailing chiral purity (ee%), chemical purity (HPLC), and specific rotation is provided with each shipment.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated area at a controlled room temperature (15-25°C). This compound is moisture-sensitive (hygroscopic); ensure containers are sealed under an inert atmosphere after opening to maintain stability and prevent degradation.

Specification

Item Specification
Appearance White to off-white crystalline powder
Identification (IR) Conforms to structure
Purity (HPLC) ≥ 98.0%
Enantiomeric Excess (Chiral HPLC) ≥ 99.0% ee
Specific Rotation Contact for details
Loss on Drying ≤ 0.5%
Residue on Ignition ≤ 0.1%
Heavy Metals ≤ 10 ppm

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

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