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)

pka

4.40±0.50(Predicted)

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

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.

3,6-Dichloro-1,2-benzenedithiol(87314-49-6)Related Product Information

• 1,2-BENZENEDITHIOL
• 3,4,6-Trichloro-benzene-1,2-dithiol
• 3,6-Dichloro-1,2-benzenedithiol
• TETRABUTYLAMMONIUM BIS(3 6-DICHLORO-1 2&