3,6-Dichloro-1,2-benzenedithiol CAS 87314-49-6

Introduction：Basic information about 3,6-Dichloro-1,2-benzenedithiol CAS 87314-49-6, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

3,6-Dichloro-1,2-benzenedithiol Basic information

• Product Name: 3,6-Dichloro-1,2-benzenedithiol
• Synonyms: 3 6-DICHLORO-1 2-BENZENEDITHIOL 95;3 6-DICHLORO-1 2-BENZENEDITHIOL 95%;3,6-DICHLORO-BENZENE-1,2-DITHIOL;1,2-Benzenedithiol, 3,6-dichloro-;3,6-Dichloro-1,2-benzenedithiol;3,6-dichloro-1,2-benzenethiol
• CAS: 87314-49-6
• MF: C6H4Cl2S2
• MW: 211.13
• Mol File: 87314-49-6.mol

3,6-Dichloro-1,2-benzenedithiol Chemical Properties

• Melting point: 58-60°C (lit.)
• Boiling point: 314.9±37.0 °C(Predicted)
• density: 1.523±0.06 g/cm3(Predicted)
• storage temp.: room temp
• pka: 4.40±0.50(Predicted)
• form: powder, crystals or chunks
• Major Application: diagnostic assay manufacturing hematology histology
• InChI: InChI=1S/C6H4Cl2S2/c7-3-1-2-4(8)6(10)5(3)9/h1-2,9-10H
• InChIKey: AJCUDWCLDWDLNY-UHFFFAOYSA-N
• SMILES: C1(S)=C(Cl)C=CC(Cl)=C1S

Safety Information

• Hazard Codes: Xi
• Risk Statements: 36/37/38
• Safety Statements: 26
• RIDADR: UN 3335
• WGK Germany: 3
• Storage Class: 6.1A - Combustible acute toxic Cat. 1 and 2 very toxic hazardous materials
• Hazard Classifications: Acute Tox. 3 Inhalation Acute Tox. 4 Oral Aquatic Acute 1 Aquatic Chronic 1 Eye Dam. 1 Repr. 2 Skin Irrit. 2 STOT SE 3

3,6-Dichloro-1,2-benzenedithiol Usage And Synthesis

Uses

3,6-Dichloro-1,2-benzenedithiol is a stain/dye. Dyes and metabolites.

Application

3,6-Dichloro-1,2-benzenedithiol has been used as a ligand in thiolate complexes and a series of homo-chalcogenide and mixed-chalcogenide ligand complexes. For example, Direct reaction between Cu(ClO4)2 and 3,6-dichloro-1,2-benzenedithiol (HSC6H2Cl2SH) in the presence of basic salts leads to a series of bis(dithiolato)cuprate(III) [Cu(SC6H2Cl2S)2]? coordination complexes and coordination polymers. In addition, One-pot reactions between Ni(II), Pd(II), or Pt(II) salts and 3,6-dichloro-1,2-benzenedithiol (HSC6H2Cl2SH) in KOH medium under argon lead to a series of bis-dithiolene coordination polymer[1-2].

References

[1] Amo-Ochoa, Pilar et al. “Copper dithiolene [Cu(SC6H2Cl2S)2]? units connected to alkaline/copper complexes: from ionic assemblies to discrete molecular entities and coordination polymers?.” CrystEngComm 6 (2018): 957–963.
[2] Delgado, Esther et al. “Unprecedented layered coordination polymers of dithiolene group 10 metals: magnetic and electrical properties?.” Dalton Transactions 15 (2016): 6696–6701.