Description

3-Bromo-5-(Methylthio)Benzoic Acid is a high-purity, functionalized benzoic acid derivative that serves as a critical building block in advanced organic synthesis. Its unique structure, featuring both bromo and methylthio substituents, makes it a versatile intermediate for constructing complex molecules with tailored electronic and steric properties. This compound is essential for researchers and process chemists in the pharmaceutical, agrochemical, and material science industries developing new active ingredients and functional materials.

Application

• Pharmaceutical Intermediate: Key synthon for the development of novel active pharmaceutical ingredients (APIs), particularly in medicinal chemistry programs targeting sulfur-containing heterocycles.
• Agrochemical Synthesis: Used in the research and production of advanced herbicides, fungicides, and plant growth regulators where the bromo and thioether groups introduce specific bioactivity.
• Ligand and Catalyst Preparation: Serves as a precursor for synthesizing specialized ligands in transition metal catalysis and organocatalysis.
• Material Science Research: Building block for organic electronic materials, such as organic semiconductors and charge-transport materials, due to its modifiable aromatic core.
• Chemical Biology Probes: Useful in designing molecular probes and tags for studying biological processes, leveraging the reactivity of the bromine atom for further functionalization.
• Custom Synthesis and R&D: A valuable starting material for contract research organizations (CROs) and academic laboratories engaged in custom synthesis and novel compound library development.

Basic Information

Product Name	3-Bromo-5-(Methylthio)Benzoic Acid
CAS No.	453566-00-2
Molecular Formula	C8H7BrO2S
Molecular Weight	247.11 g/mol
Synonyms	5-(Methylthio)-3-bromobenzoic Acid; 3-Bromo-5-methylsulfanylbenzoic Acid; Benzoic acid, 3-bromo-5-(methylthio)-; 3-Bromo-5-(methylmercapto)benzoic Acid; 3-Bromo-5-(methylsulfanyl)benzoic Acid
EINECS	Contact for details

Quality Control

Every batch of 3-Bromo-5-(Methylthio)Benzoic Acid is manufactured and tested under a strict quality management system. We provide comprehensive analytical data to ensure the compound meets the high-purity standards required for research and scale-up applications. A detailed Certificate of Analysis (COA) specifying identity, purity, and impurity profiles by HPLC, NMR, and other relevant techniques is supplied with each shipment.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at room temperature (15-25°C). This product is hygroscopic (moisture-sensitive) and light-sensitive; therefore, containers must be kept tightly sealed and away from direct light exposure to maintain stability and purity.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Assay (HPLC)	≥97.0%
Melting Point	Contact for details
Loss on Drying	≤0.5%
Heavy Metals	<20 ppm
Residue on Ignition	≤0.1%

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