Description

Methyl 2-Isothiocyanatobenzoate is a specialized organic compound featuring both an isothiocyanate and an ester functional group, making it a valuable bifunctional building block in synthetic chemistry. This compound is crucial for researchers and manufacturers requiring a reactive precursor for the synthesis of heterocyclic compounds and complex molecular architectures. It is primarily utilized by the pharmaceutical, agrochemical, and advanced materials industries for developing active ingredients and novel chemical entities.

Application

• Pharmaceutical Intermediate: Key precursor in the synthesis of benzothiazole and quinazolinone derivatives with potential biological activity.
• Agrochemical Synthesis: Used in the development of novel herbicides, fungicides, and plant growth regulators.
• Ligand and Catalyst Development: Serves as a starting material for creating specialized ligands used in coordination chemistry and catalysis.
• Polymer Modification: Employed to introduce reactive isothiocyanate groups into polymer chains for cross-linking or functionalization.
• Chemical Biology Probe Synthesis: Useful for creating activity-based probes that target specific enzymes or biological pathways.
• Material Science Research: Investigated for the preparation of organic semiconductors and advanced functional materials.

Basic Information

Product Name	Methyl 2-Isothiocyanatobenzoate
CAS No.	16024-82-1
Molecular Formula	C9H7NO2S
Molecular Weight	193.22 g/mol
Synonyms	Methyl 2-Isothiocyanatobenzoate; Methyl o-Isothiocyanatobenzoate; 2-Isothiocyanatobenzoic Acid Methyl Ester; Benzoic acid, 2-isothiocyanato-, methyl ester; Methyl 2-isothiocyanylbenzoate; Methyl anthranilate N-thiocarboxyanhydride
EINECS	Contact for details

Quality Control

Our Methyl 2-Isothiocyanatobenzoate is produced under strict quality management protocols. Each batch undergoes comprehensive analytical testing, including HPLC for purity assessment and spectroscopic methods for structural confirmation, to ensure it meets the high standards required for research and industrial synthesis. A Certificate of Analysis (COA) detailing specific results for identity, purity, and impurities is provided with every 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). Keep away from heat, sparks, and open flame. Due to its light-sensitive nature, containers should be amber-colored or stored in dark conditions.

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.