Description

3-Bromo-5-(Pentafluorosulfur)Benzoic Acid is a high-value, multifunctional aromatic building block characterized by its unique combination of bromine and pentafluorosulfanyl (SF5) substituents. This compound matters for its role in advanced material science and pharmaceutical research, where the SF5 group is prized for its exceptional lipophilicity, metabolic stability, and electron-withdrawing properties, acting as a "super-trifluoromethyl" group. It is primarily needed by R&D chemists and process development scientists in the agrochemical, pharmaceutical, and specialty materials industries for constructing novel active ingredients and functional molecules.

Application

• Pharmaceutical Intermediate: Serves as a key precursor in the synthesis of novel drug candidates, particularly those targeting central nervous system (CNS) disorders and inflammatory diseases, where the SF5 moiety enhances bioavailability and metabolic stability.
• Agrochemical Research: Used in developing next-generation herbicides, fungicides, and insecticides, leveraging the unique physicochemical properties of the pentafluorosulfanyl group to improve efficacy and environmental profile.
• Liquid Crystal & OLED Materials: Acts as a building block for advanced electronic materials, where its aromatic core and halogen/fluorine substituents contribute to desired electronic properties and molecular alignment.
• Polymer Modification: Employed to introduce functional benzoic acid groups into polymer backbones or side chains, enabling the creation of specialty polymers with tailored surface properties or reactivity.
• Cross-Coupling Reactions: The bromine atom provides an excellent handle for versatile palladium-catalyzed cross-coupling reactions (e.g., Suzuki, Sonogashira), allowing for rapid diversification of the molecular structure.
• Ligand Synthesis: Useful for preparing novel chelating ligands for catalysis or metal-organic frameworks (MOFs), where the carboxylic acid group facilitates coordination.

Basic Information

Product Name	3-Bromo-5-(Pentafluorosulfur)Benzoic Acid
CAS No.	1180675-98-2
Molecular Formula	C7H2BrF5O2S
Molecular Weight	324.06 g/mol
Synonyms	3-Bromo-5-(pentafluoro-λ6-sulfanyl)benzoic acid; Benzoic acid, 3-bromo-5-(pentafluorosulfur)-; 3-Bromo-5-SF5-benzoic acid; 5-SF5-3-Bromobenzoic Acid; 3-Br-5-SF5-Ph-COOH; 1180675-98-2; 3-Bromo-5-pentafluorosulfanylbenzoic acid
EINECS	Contact for details

Quality Control

Our 3-Bromo-5-(Pentafluorosulfur)Benzoic Acid is manufactured under strict quality management protocols. Each batch undergoes rigorous analytical testing, including HPLC, NMR, and MS, to ensure high chemical purity and identity confirmation. We provide comprehensive Certificates of Analysis (COA) with each shipment, detailing all critical specifications. Our quality commitment aligns with cGMP principles for advanced intermediates, ensuring traceability, consistency, and reliability for your critical R&D and scale-up projects.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (15-25°C). The container should be kept tightly sealed in a dry environment to minimize exposure to moisture. Keep away from heat, sparks, and open flame.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%
Single Unknown Impurity (HPLC)	≤ 1.0%
Total Impurities (HPLC)	≤ 3.0%

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