Description

3-[[[(2-Chloro-4-Nitrobenzoyl)Amino]Thioxomethyl]Amino]-2-Methyl-Benzoic Acid is a specialized organic intermediate featuring a complex molecular architecture that combines a benzoic acid core with a thioxomethylamino linker and a chloronitrobenzoyl group. This compound is valued for its role as a key synthetic building block in the development of advanced chemical entities, particularly in pharmaceutical and agrochemical research. It is primarily sought by R&D chemists and process development scientists working on novel active ingredients, where its unique structure enables the introduction of specific functional groups and pharmacophores.

Application

• Pharmaceutical Intermediate: Serves as a critical precursor in the synthesis of novel drug candidates, particularly those targeting specific enzyme pathways where its chloronitro and thioamide functionalities are essential.
• Agrochemical Research: Used in the development of new herbicides, fungicides, or insecticides, where its structural motifs can contribute to biological activity and selectivity.
• Chemical Synthesis Building Block: Employed in organic synthesis for constructing more complex heterocyclic compounds or for introducing the 2-chloro-4-nitrobenzoyl moiety into target molecules.
• Material Science Research: Potential use in the development of specialty polymers or ligands for metal-organic frameworks (MOFs) due to its multiple coordination sites.
• Dye & Pigment Intermediate: May be utilized in the synthesis of specialized azo dyes or pigments, leveraging its nitro and aromatic amine-derived components.

Basic Information

Item	Details
Product Name	3-[[[(2-Chloro-4-Nitrobenzoyl)Amino]Thioxomethyl]Amino]-2-Methyl-Benzoic Acid
CAS No.	530155-14-7
Molecular Formula	C16H12ClN3O5S
Molecular Weight	393.80 g/mol
Synonyms	2-Methyl-3-[[[(2-chloro-4-nitrobenzoyl)amino]thioxomethyl]amino]benzoic acid; 3-[(2-Chloro-4-nitrobenzoyl)carbamothioylamino]-2-methylbenzoic acid; Benzoic acid, 3-[[[(2-chloro-4-nitrobenzoyl)amino]thioxomethyl]amino]-2-methyl-; 530155-14-7; 3-((((2-Chloro-4-nitrobenzoyl)amino)(thioxo)methyl)amino)-2-methylbenzoic acid
EINECS	Contact for details

Quality Control

Our production of 3-[[[(2-Chloro-4-Nitrobenzoyl)Amino]Thioxomethyl]Amino]-2-Methyl-Benzoic Acid adheres to stringent quality protocols to ensure batch-to-batch consistency and high purity for research and development applications. All material is accompanied by a comprehensive Certificate of Analysis (COA) detailing key parameters such as identity, purity, and impurity profiles. We support custom synthesis and can tailor specifications, including chiral purity if required, to meet specific project needs under cGMP or ISO 9001 frameworks as applicable.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (typically 15-25°C). Due to its hygroscopic (moisture-sensitive) nature, the container must be kept tightly sealed after opening to prevent degradation from atmospheric moisture. For long-term storage, consider using desiccants.

Specification

Item	Specification
Appearance	Off-white to light yellow crystalline powder
Identification (IR)	Conforms to structure
Assay (HPLC)	≥ 97.0%
Loss on Drying	≤ 1.0%
Residue on Ignition	≤ 0.5%
Heavy Metals	≤ 20 ppm
Related Substances (HPLC)	Total impurities ≤ 3.0%
Single Unknown Impurity	≤ 1.0%

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