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4-Chloro-3-[[[[4-(Hexyloxy)Benzoyl]Amino]Thioxomethyl]Amino]-Benzoic Acid CAS NO 531546-12-0


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CAS No.:531546-12-0

Grade:Pharmacy Grade

Content:99.9%

Brand:Customizable

Packaging:Customizable

Description

4-Chloro-3-[[[[4-(Hexyloxy)Benzoyl]Amino]Thioxomethyl]Amino]-Benzoic Acid is a specialized organic compound that serves as a critical synthetic intermediate in advanced chemical manufacturing. Its unique molecular architecture, featuring a benzoic acid core linked to a hexyloxybenzoyl-thiourea moiety, provides valuable reactivity for constructing complex target molecules. This high-purity intermediate is essential for research and production in the pharmaceutical and agrochemical sectors, where precise chemical synthesis is paramount.

Application

  • Pharmaceutical Intermediate: Key building block in the synthesis of novel active pharmaceutical ingredients (APIs), particularly for candidates targeting specific enzymatic pathways.
  • Agrochemical Research: Used in the development of next-generation herbicides, fungicides, and plant growth regulators, leveraging its structural motifs for bioactivity.
  • Chemical Synthesis: Serves as a versatile precursor for creating complex amide and thiourea derivatives in organic chemistry and medicinal chemistry research.
  • Material Science: Potential intermediate for synthesizing specialty polymers or liquid crystal compounds due to its aromatic and flexible alkoxy chain components.

Basic Information

Product Name 4-Chloro-3-[[[[4-(Hexyloxy)Benzoyl]Amino]Thioxomethyl]Amino]-Benzoic Acid
CAS No. 531546-12-0
Molecular Formula C21H23ClN2O4S
Molecular Weight 434.94 g/mol
Synonyms 4-Chloro-3-({[(4-hexyloxybenzoyl)amino]carbothioyl}amino)benzoic acid; Benzoic acid, 4-chloro-3-[[[[4-(hexyloxy)benzoyl]amino]thioxomethyl]amino]-; 3-({[(4-Hexyloxybenzoyl)amino]carbothioyl}amino)-4-chlorobenzoic acid; 4-Chloro-3-[(4-hexyloxybenzoyl)thioureido]benzoic acid; N-(4-Chloro-3-carboxyphenyl)-N'-(4-hexyloxybenzoyl)thiourea
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Quality Control

Our production of 4-Chloro-3-[[[[4-(Hexyloxy)Benzoyl]Amino]Thioxomethyl]Amino]-Benzoic Acid adheres to stringent quality management protocols. Every batch undergoes comprehensive analytical testing, including HPLC for purity verification and identity confirmation via FT-IR and NMR spectroscopy. Our products are manufactured in compliance with cGMP principles where applicable, and a detailed Certificate of Analysis (COA) is provided with each shipment to ensure full traceability and specification compliance.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at a controlled room temperature (15-25°C). Keep away from strong oxidizing agents, strong bases, and sources of heat. For long-term storage, consider an inert atmosphere to maintain product integrity.

Specification

Item Specification
Appearance White to off-white crystalline powder
Identification (IR) Conforms to reference spectrum
Identification (HPLC) Retention time matches reference standard
Assay (HPLC) ≥ 98.0%
Loss on Drying ≤ 0.5%
Residue on Ignition ≤ 0.1%
Heavy Metals ≤ 20 ppm
Related Substances (HPLC) Total impurities ≤ 2.0%; Any single impurity ≤ 0.5%

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

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