Description

Benzoicacid,3-Isothiocyanato-4-Methyl- CAS NO 114379-99-6 is a specialized organic compound featuring both a benzoic acid core and a reactive isothiocyanate functional group. This unique structure makes it a valuable high-purity chemical intermediate for synthesizing more complex molecules in advanced research and development. It is primarily sought after by pharmaceutical, agrochemical, and fine chemical manufacturers for the development of novel active ingredients and functional materials.

Application

• Pharmaceutical Intermediate: Key building block for the synthesis of potential drug candidates, particularly in medicinal chemistry programs.
• Agrochemical Synthesis: Used in the research and development of new herbicides, fungicides, or plant growth regulators.
• Fine Chemical Production: Serves as a precursor for dyes, pigments, and other specialty organic compounds.
• Bioconjugation & Probe Development: The reactive isothiocyanate group allows for coupling with amines, useful in creating biochemical probes and labeled compounds.
• Material Science Research: Investigated as a monomer or additive for creating polymers with specific thermal or chemical properties.
• Academic & Industrial R&D: Employed in chemical libraries and discovery projects for screening new biological activities.

Basic Information

Item	Details
Product Name	Benzoicacid,3-Isothiocyanato-4-Methyl- CAS NO 114379-99-6
CAS No.	114379-99-6
Molecular Formula	C9H7NO2S
Molecular Weight	193.22 g/mol
Synonyms	3-Isothiocyanato-4-methylbenzoic acid; 4-Methyl-3-isothiocyanatobenzoic acid; Benzoic acid, 3-isothiocyanato-4-methyl-; 3-Isothiocyanato-p-toluic acid; NSC 405124; AI3-52011; 4-Methyl-3-isothiocyanato-benzoic acid; 114379-99-6
EINECS	Contact for details

Quality Control

Our production of Benzoicacid,3-Isothiocyanato-4-Methyl- adheres to stringent quality protocols. Each batch undergoes comprehensive analytical testing, including HPLC, NMR, and IR spectroscopy, to ensure high purity and consistent chemical identity. We provide detailed Certificates of Analysis (COA) with every shipment, confirming compliance with agreed specifications. Our quality management system supports cGMP and ISO standards for reliable supply to regulated industries.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at controlled room temperature (15-25°C). This compound is hygroscopic (moisture-sensitive); therefore, the container must be kept tightly sealed to exclude moisture. Keep away from heat, sparks, and open flame.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0% (Area %)
Melting Point	Contact for details
Loss on Drying	≤ 1.0 %
Residue on Ignition	≤ 0.1 %

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