PRODUCT >> Fine Chemicals

Product Name

CAS No.

3,6-dichloro-1,2-benzenethiol

87314-49-6


Product Name (品名):

3,6-dichloro-1,2-benzenethiol

3,6-二氯-1,2-苯二硫醇

Appearance(外观):White solid

Molecular Formula (分子式):

C6H4Cl2S2

Molecular Weight (分子量):

211.13

Purity (纯度):

96%

Production Capacity (产能)100KG/ Year

Specification:(指标)

MS, HNMR, Purity 96%

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023-677770219

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Sales Department

Contact Email:

sales@chemieliva.com

用途

  • 配位化学研究原料:它是合成钼系配合物的重要配体。例如在乙腈体系中,可与四乙基铵的钼配合物发生取代反应,生成单硫烯钼(Ⅳ)氧化合物;若在热乙腈中进一步反应,还能得到双硫桥联的双核钼(V)化合物。这些配合物常用于谱学表征和晶体结构分析等基础化学研究,为探索过渡金属配合物的成键规律、空间构型等提供了研究对象。

  • 医药中间体相关领域:该物质被归类为医药中间体,这类中间体是医药合成链条中的关键中间产物。其含有的特殊官能团,可通过取代、加成等化学反应对分子结构进行修饰和改造,为后续合成具有特定生物活性的医药相关化合物奠定基础,不过目前暂未查到基于它合成的具体药物品种。

  • 染料相关应用:据化学数据库信息显示,它还可用于染色剂和染料领域。推测是利用其分子中的芳香环结构以及硫、氯等官能团,能调整染料的发色体系和稳定性,可作为染料合成中的关键中间体,助力制备特定色泽或性能的染料产品。

Function

  1. Raw Material for Coordination Chemistry Research: It serves as a key ligand in the synthesis of molybdenum-based complexes. For instance, in an acetonitrile system, it can undergo substitution reactions with tetraethylammonium molybdenum complexes to form monothiolene molybdenum(Ⅳ) oxide compounds; further reaction in hot acetonitrile yields disulfide-bridged dinuclear molybdenum(V) complexes. These complexes are commonly used in fundamental chemical research such as spectroscopic characterization and crystal structure analysis, providing research objects for exploring the bonding rules and spatial configurations of transition metal complexes.

  2. Pharmaceutical Intermediate-Related Fields: Classified as a pharmaceutical intermediate, this substance acts as a critical intermediate in the pharmaceutical synthesis chain. Its special functional groups (chloro and thiol groups) enable molecular structure modification and transformation through substitution, addition, and other chemical reactions, laying the foundation for the subsequent synthesis of pharmaceutically relevant compounds with specific biological activities. However, no specific drugs synthesized from it have been identified to date.

  3. Dye-Related Applications: According to chemical database information, it is also used in the field of colorants and dyes. It is speculated that its aromatic ring structure and functional groups (sulfur and chlorine) can adjust the chromophoric system and stability of dyes, serving as a key intermediate in dye synthesis to facilitate the preparation of dyes with specific colors or properties.

Structure (结构式):

 

3,6-dichloro-1,2-benzenethiol

3,6-二氯-1,2-苯二硫醇


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Canonical SMILES

ClC1=CC=C(Cl)C(S)=C1S

InChI

InChI=1S/C6H4Cl2S2/c7-3-1-2-4(8)6(10)5(3)9/h1-2,9-10H

InChI Key

AJCUDWCLDWDLNY-UHFFFAOYSA-N

2 Other Names for this Substance

3,6-Dichloro-1,2-benzenedithiol (ACI)

1,4-Dichlorobenzene-5,6-dithiol

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