87314-49-6

Basic information

• Product Name: 3 6-DICHLORO-1 2-BENZENEDITHIOL 95
• Synonyms: 3 6-DICHLORO-1 2-BENZENEDITHIOL 95;3 6-DICHLORO-1 2-BENZENEDITHIOL 95%;3,6-DICHLORO-BENZENE-1,2-DITHIOL
• CAS NO: 87314-49-6
• Molecular Formula: C₆H₄Cl₂S₂
• Molecular Weight: 211.13196
• Mol File: 87314-49-6.mol
• Article Data: 2

Chemical Properties

• Melting Point: 58-60℃
• Boiling Point: 314.873 °C at 760 mmHg
• Flash Point: 128.78 °C
• Appearance: /
• Density: 1.524 g/cm³
• Vapor Pressure: 0.000838mmHg at 25°C
• Refractive Index: 1.68
• PKA: 4.40±0.50(Predicted)
• CAS DataBase Reference: 3 6-DICHLORO-1 2-BENZENEDITHIOL 95(CAS DataBase Reference)
• NIST Chemistry Reference: 3 6-DICHLORO-1 2-BENZENEDITHIOL 95(87314-49-6)
• EPA Substance Registry System: 3 6-DICHLORO-1 2-BENZENEDITHIOL 95(87314-49-6)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26
• RIDADR: UN 3335
• WGK Germany: 3
• Hazardous Substances Data: 87314-49-6(Hazardous Substances Data)

Usage

Uses

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

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

Upstream product

• 617-84-5 N-formyldiethylamine 
• 634-66-2 1,2,3,4,-tetrachlorobenzene 

Downstream Products

• 403609-50-7 [1,1'-bis(diisopropylphosphino)ferrocene]palladium(II) 3,6-dichloro-1,2-benzenedithiolate 
• 479620-99-0 (hydrotris(3,5-dimethyl-1-pyrazolyl)borate)Mo(NO)(3,6-dichlorobenzenedithiolate) 
• 403609-56-3 [1,1'-bis(diphenylphosphino)ferrocene]platinum(II) 3,6-dichloro-1,2-benzenedithiolate 
• 403609-44-9 [1,1'-bis(diphenylphosphino)ferrocene]palladium(II) 3,6-dichloro-1,2-benzenedithiolate 
• 873298-20-5 tetraethylammonium tris(3,6-dichloro-1,2-benzenedithiolate)tungsten(V) 
• 873424-91-0 tetraphenylphosphonium tris(3,6-dichloro-1,2-benzenedithiolate)tungsten(V) 
• 1105065-84-6 [Et₄N][WO(3,6-dichloro-1,2-benzenedithiolate)2] 

Relevant articles and documents

Fine electronic state tuning of cobaltadithiolene complexes by substituent groups on the benzene ring

A series of 3,6- and 4,5-dihalogen-substituted 1,2-benzenedithiol (H2bdt) ligands, (3,6-X12-4,5-X22-1,2-H2bdt) (X2 = H, X1 = F (1a), Cl (1b), Br (1c); X1 = H, X2 = Cl (4)), and their cobalt complexes, [Cp?Co(3,6-X12-4,5-X22-1,2-bdt)] (X2 = H, X1 = F (2a), Cl (2b), Br (2c); X1 = H, X2 = Cl (5)), were synthesized by a modified selective thiolation reaction. The 1,2-diphenyl-substituted cobaltadithiolene complex (2d) was also synthesized. The molecular structures of all cobaltadithiolene complexes were determined by single crystal X-ray diffraction analysis. Compounds 2a, 5 and 12 showed unique packing structures with intermolecular interactions that confirmed them as the first examples of half-sandwich-type metalladithiolene complexes with a Cp? ligand. The effects of the benzene substituent type and position on the metalladithiolene ring were investigated using UV-vis spectroscopy measurements and cyclic voltammetry. The results indicate that substitution of halogen atoms at the 3 and 6 position of the benzene ring had a larger effect on the dithiolene ring than substitution at the 4 and 5 positions.