2,4,5-Trichlorophenyl disulfide

Base Information

• Chemical Name: 2,4,5-Trichlorophenyl disulfide
• CAS No.: 3808-87-5
• Molecular Formula: C12H4Cl6S2
• Molecular Weight: 425.014
• Hs Code.: 2930909090
• European Community (EC) Number: 223-279-2
• NSC Number: 677440,238936
• UNII: EE043UTU8O
• DSSTox Substance ID: DTXSID1022211
• Nikkaji Number: J151.135A
• Wikidata: Q27277128
• ChEMBL ID: CHEMBL120144
• Mol file: 3808-87-5.mol

Synonyms:3808-87-5;Bis(2,4,5-trichlorophenyl) disulfide;2,4,5-Trichlorophenyl disulfide;1,2,4-Trichloro-5-[(2,4,5-trichlorophenyl)disulfanyl]benzene;Bis(2,4,5-trichlorophenyl)disulfide;NSC 677440;2,4,5-Trichlorophenyl disulphide;EINECS 223-279-2;UNII-EE043UTU8O;NSC 238936;NSC-238936;EE043UTU8O;NSC238936;NSC677440;Bis(2,4,5-trichlorophenyl)disulphide;NSC-677440;Disulfide, bis(2,4,5-trichlorophenyl);1,1'-dithiobis(2,4,5-trichlorobenzene);1,2-Bis(2,4,5-trichlorophenyl)disulfide;C12H4Cl6S2;2,5-Trichlorophenyl disulfide;CHEMBL120144;SCHEMBL4636283;DTXSID1022211;C12-H4-Cl6-S2;MFCD00000551;di(2,4,5-trichlorophenyl) disulfide;Bis(2,4,5-trichlorophenyl) persulfide;bis-(2,4,5-trichlorophenyl)-disulfide;AS-62710;1,2-bis(2,4,5-trichlorophenyl)disulfane;LS-184938;B0245;CS-0214844;FT-0622985;EN300-19849;S(Sc1cc(Cl)c(Cl)cc1Cl)c2cc(Cl)c(Cl)cc2Cl;D88616;DISULFIDE, BIS(2,4,5-TRICHLOROPHENYL)-;Q27277128;1,2,4-Trichloro-5-[(2,4,5-trichlorophenyl)disulfanyl]benzene #

Chemical Property of 2,4,5-Trichlorophenyl disulfide

Chemical Property:

• Vapor Pressure: 3.08E-08mmHg at 25°C
• Melting Point: 140-144oC(lit.)
• Boiling Point: 460.9°Cat760mmHg
• Flash Point: 213.2°C
• PSA: 50.60000
• Density: 1.73g/cm³
• LogP: 8.40640
• XLogP3: 7.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 423.785609
• Heavy Atom Count: 20
• Complexity: 290

Purity/Quality:

98%,99%, ^*data from raw suppliers

Bis(2,4,5-trichlorophenyl) Disulfide ^*data from reagent suppliers

Safty Information:

• Safety Statements: S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=CC(=C1Cl)Cl)Cl)SSC2=CC(=C(C=C2Cl)Cl)Cl

Technology Process of 2,4,5-Trichlorophenyl disulfide

There total 12 articles about 2,4,5-Trichlorophenyl disulfide 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: 88.0%

2,4,5-trichlorothiophenol (3773-14-6) → 2,4,5-trichlorophenyl disulfide (3808-87-5)

Guidance literature:

With potassium ferrate(VI); K₁₀ clay; In pentane; for 0.5h; Ambient temperature;

DOI:10.1021/jo960633p

Reference yield: 86.0%

2,4,5-trichlorobenzenesulfenyl chloride (62726-90-3) → 2,4,5-trichlorophenyl disulfide (3808-87-5) + 2,4,5-trichloromethylthiobenzene (4163-78-4)

Guidance literature:

With tetramethylstannane; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In tetrahydrofuran; at 25 ℃; for 4h;

DOI:10.1021/jo951378w

Reference yield: 82.0%

2-Iodobenzoic acid (88-67-5) + 2,4,5-trichlorothiophenol (3773-14-6) → 2,4,5-trichlorophenyl disulfide (3808-87-5) + 2-(2,4,5-Trichlorophenylthio)benzoic Acid (94923-56-5)

Guidance literature:

With potassium hydroxide; copper; In water; for 14h; Heating;

DOI:10.1135/cccc19842295

upstream raw materials:

2,4,5-trichlorobenzensulfonyl chloride

bis-(2,4,5-trichloro-phenyl)-trisulfide

2,4,5-trichloroaniline

2-Iodobenzoic acid

Downstream raw materials:

Monothiophosphorsaeure-O,O-dimethylester-S-<2,4,5-trichlor-phenylester>

2,4,5-trichlorobenzenesulfenyl chloride

[2,4,5-Cl₃(C₆H₂)SSnMe₃]

4-methyl-3-((2,4,5-trichlorophenyl)thio)-1H-indole-2-carboxylic acid

Refernces

• 1、 Cochran, John C.,Friedman, Susan R.,Frazier, John P.. "Synthesis of Disulfides from the Palladium(0)-Catalyzed Reactions of Sulfenyl Halides and Organostannanes". . p. 1533 - 1536. Retrieved 2007/10/03.
• 2、 Cornelis, Andre,Depaye, Nicole,Gerstmans, Andre,Laszlo, Pierre. "CLAY-SUPPORTED REAGENTS IV. A NOVEL COUPLING OF THIOLS INTO DISULPHIDES, VIA THIONITRITE INTERMEDIATES USING A CLAY-SUPPORTED NITROSATION REAGENT.". . p. 3103 - 3106. Retrieved 2007/10/02.