Description

Benzoic Acid, 3-Isothiocyanato-4-Methyl-, Methyl Ester (9Ci) is a specialized organic compound featuring both an isothiocyanate functional group and a benzoate ester structure. This unique molecular architecture makes it a valuable high-purity chemical intermediate for advanced synthesis in pharmaceutical and agrochemical research. It is primarily sought by R&D chemists and process development scientists working on novel active ingredients, particularly in the development of potential therapeutic agents and crop protection products.

Application

• Pharmaceutical Intermediate: A key building block in the synthesis of novel drug candidates, particularly those targeting specific enzyme pathways.
• Agrochemical Research: Used in the development of new herbicides, fungicides, and insecticides due to its reactive isothiocyanate moiety.
• Chemical Biology Probe: Serves as a tool compound for labeling and studying biological targets, leveraging the isothiocyanate group's affinity for amines.
• Organic Synthesis Reagent: Employed in academic and industrial laboratories for constructing complex heterocyclic compounds and other advanced molecular architectures.
• Material Science Research: Potential precursor for specialty polymers or functionalized surfaces requiring specific chemical handles.

Basic Information

Item	Detail
Product Name	Benzoic Acid, 3-Isothiocyanato-4-Methyl-, Methyl Ester (9Ci)
CAS No.	269736-36-9
Molecular Formula	C10H9NO2S
Molecular Weight	207.25 g/mol
Synonyms	Methyl 3-Isothiocyanato-4-methylbenzoate; 4-Methyl-3-isothiocyanatobenzoic Acid Methyl Ester; 3-Isothiocyanato-4-methylbenzoic Acid Methyl Ester; Methyl 4-Methyl-3-isothiocyanatobenzoate; Benzoic acid, 3-isothiocyanato-4-methyl-, methyl ester (9CI); 269736-36-9; 3-Isothiocyanato-p-toluic Acid Methyl Ester
EINECS	Contact for details

Quality Control

We supply Benzoic Acid, 3-Isothiocyanato-4-Methyl-, Methyl Ester (9Ci) to high-purity standards suitable for research and development. Our products undergo rigorous quality testing, including chromatographic purity analysis, to ensure batch-to-batch consistency and reliability. A comprehensive Certificate of Analysis (COA) detailing identity, purity, and impurity profiles is provided with each shipment to support your quality assurance protocols.

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 compound is hygroscopic (moisture-sensitive); therefore, containers must be kept tightly sealed to exclude moisture.

Specification

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

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