3,6-Dichlorobenzene-1,2-dithiol

Base Information

• Chemical Name: 3,6-Dichlorobenzene-1,2-dithiol
• CAS No.: 87314-49-6
• Molecular Formula: C6H4Cl2S2
• Molecular Weight: 211.136
• Hs Code.: 2930909090
• European Community (EC) Number: 625-028-6
• DSSTox Substance ID: DTXSID00404120
• Nikkaji Number: J1.655.180E
• Wikidata: Q82208124
• Mol file: 87314-49-6.mol

Synonyms:3,6-dichlorobenzene-1,2-dithiol

Chemical Property of 3,6-Dichlorobenzene-1,2-dithiol

Chemical Property:

• Vapor Pressure: 0.000838mmHg at 25°C
• Melting Point: 58-60℃
• Refractive Index: 1.68
• Boiling Point: 314.873 °C at 760 mmHg
• PKA: 4.40±0.50(Predicted)
• Flash Point: 128.78 °C
• PSA: 77.60000
• Density: 1.524 g/cm³
• LogP: 3.57080
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 209.9131479
• Heavy Atom Count: 10
• Complexity: 106

Purity/Quality:

99%, ^*data from raw suppliers

3,6-Dichloro-1,2-benzenedithiol 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1Cl)S)S)Cl
• Uses: 3,6-Dichloro-1,2-benzenedithiol is a stain/dye. Dyes and metabolites.

Technology Process of 3,6-Dichlorobenzene-1,2-dithiol

There total 2 articles about 3,6-Dichlorobenzene-1,2-dithiol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 13.0%

1,2,3,4,-tetrachlorobenzene (634-66-2) → 3,6-dichlorobenzene-1,2-dithiol (87314-49-6)

Guidance literature:

1,2,3,4,-tetrachlorobenzene; With sodium monohydrogensulphide hydrate; iron; sulfur; In N,N-dimethyl-formamide; at 140 ℃; for 16h;

With zinc(II) oxide; sodium hydroxide; In methanol; water; for 2h; Reflux;

DOI:10.1016/j.poly.2016.05.062

Reference yield:

N-formyldiethylamine (617-84-5) + iron(II) chloride tetrahydrate + 1,2,3,4,-tetrachlorobenzene (634-66-2) → 3,6-dichlorobenzene-1,2-dithiol (87314-49-6)

Guidance literature:

With sodium hydroxide; sodium hydrogensulfide; sulfuric acid; hydrogen sulfide; In methanol; water;

Reference yield: 95.0%

3,6-dichlorobenzene-1,2-dithiol (87314-49-6) + zinc(II) acetate dihydrate (5970-45-6) → (3,6-dichlorobenzene-1,2-dithiolato)zinc(II)

Guidance literature:

With ethylenediamine; In isopropyl alcohol; at 22 ℃; for 1h; Inert atmosphere;

upstream raw materials:

N-formyldiethylamine

1,2,3,4,-tetrachlorobenzene

Downstream raw materials:

[1,1'-bis(diisopropylphosphino)ferrocene]palladium(II) 3,6-dichloro-1,2-benzenedithiolate

(hydrotris(3,5-dimethyl-1-pyrazolyl)borate)Mo(NO)(3,6-dichlorobenzenedithiolate)

[1,1'-bis(diphenylphosphino)ferrocene]platinum(II) 3,6-dichloro-1,2-benzenedithiolate

[1,1'-bis(diphenylphosphino)ferrocene]palladium(II) 3,6-dichloro-1,2-benzenedithiolate

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