Description

5-(4-tert-Butyl-Phenyl)-4-(2-Chloro-Phenyl)-4H-[1,2,4]Triazole-3-Thiol is a specialized heterocyclic compound belonging to the 1,2,4-triazole class, valued for its role as a key synthetic intermediate and functional building block. Its molecular structure, featuring both tert-butyl and chloro-phenyl substituents, makes it a versatile precursor for the development of advanced materials and active pharmaceutical ingredients (APIs). This compound is primarily sought by research and development teams in the pharmaceutical, agrochemical, and material science industries for creating novel molecules with targeted properties.

Application

• Pharmaceutical Intermediate: Serves as a critical building block in the synthesis of novel drug candidates, particularly those targeting central nervous system (CNS) disorders, anti-inflammatory agents, and other therapeutic areas.
• Agrochemical Research: Used in the development of new fungicides, herbicides, and plant growth regulators, leveraging the bioactivity of the triazole-thiol core structure.
• Material Science Precursor: Acts as a monomer or ligand in the synthesis of advanced polymers, coordination complexes, and metal-organic frameworks (MOFs) for catalytic or electronic applications.
• Chemical Synthesis: Functions as a versatile reagent in organic synthesis for constructing complex heterocyclic systems or introducing specific functional groups.
• Ligand for Catalysis: Potential use in designing novel ligands for transition metal catalysts used in asymmetric synthesis and cross-coupling reactions.
• Analytical Reference Standard: Supplied as a high-purity standard for quality control and analytical method development in pharmaceutical and chemical manufacturing.

Basic Information

Product Name	5-(4-tert-Butyl-Phenyl)-4-(2-Chloro-Phenyl)-4H-[1,2,4]Triazole-3-Thiol
CAS No.	748793-35-3
Molecular Formula	C18H18ClN3S
Molecular Weight	343.87 g/mol
Synonyms	4-(2-Chlorophenyl)-5-[4-(1,1-dimethylethyl)phenyl]-4H-1,2,4-triazole-3-thiol; 5-(4-tert-Butylphenyl)-4-(2-chlorophenyl)-4H-1,2,4-triazole-3-thiol; 4-(2-Chlorophenyl)-5-(4-tert-butylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione; 1,2,4-Triazole-3-thiol, 4-(2-chlorophenyl)-5-[4-(1,1-dimethylethyl)phenyl]-; CAS 748793-35-3
EINECS	Contact for details

Quality Control

Our production of 5-(4-tert-Butyl-Phenyl)-4-(2-Chloro-Phenyl)-4H-[1,2,4]Triazole-3-Thiol adheres to stringent quality management protocols. Each batch undergoes comprehensive analytical testing, including HPLC for purity, NMR and IR for structural confirmation, and residual solvent analysis. Certificates of Analysis (COA) detailing all specifications are provided and can be tailored to meet specific customer or regulatory requirements, supporting cGMP and ISO standards for reliable supply.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated area at a controlled room temperature (15-25°C). Due to its sensitivity to oxidation, long-term storage under an inert atmosphere (e.g., nitrogen or argon) is recommended for optimal stability. Keep away from heat, sparks, and open flame.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (HPLC)	Retention time matches reference standard
Purity (HPLC)	≥ 98.0%
Loss on Drying	≤ 0.5%
Residue on Ignition	≤ 0.1%
Heavy Metals	≤ 20 ppm
Single Unknown Impurity (HPLC)	≤ 0.5%
Total Impurities (HPLC)	≤ 2.0%

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