3,6-Dichloro-1,2-benzenedithiol Property

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

Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

26

RIDADR 

UN 3335

WGK Germany 

3

Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Danger

Hazard statements

H301Toxic if swalloed

H312Harmful in contact with skin

H315Causes skin irritation

H319Causes serious eye irritation

H330Fatal if inhaled

H335May cause respiratory irritation

H361Suspected of damaging fertility or the unborn child

H373May cause damage to organs through prolonged or repeated exposure

H411Toxic to aquatic life with long lasting effects

Precautionary statements

P202Do not handle until all safety precautions have been read and understood.

P273Avoid release to the environment.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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

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.