3,3,4,4-Tetrachlorotetrahydrothiophene 1,1-dioxide

Base Information

• Chemical Name: 3,3,4,4-Tetrachlorotetrahydrothiophene 1,1-dioxide
• CAS No.: 3737-41-5
• Molecular Formula: C4H4 Cl4 O2 S
• Molecular Weight: 257.953
• Hs Code.: 2934300000
• European Community (EC) Number: 223-113-9
• UNII: SJY4TJ4WC1
• DSSTox Substance ID: DTXSID7041461
• Nikkaji Number: J93.663D
• Wikidata: Q27289245
• ChEMBL ID: CHEMBL3185246
• Mol file: 3737-41-5.mol

Synonyms:3,3,4,4-Tetrachlorotetrahydrothiophene 1,1-dioxide;3737-41-5;3,3,4,4-Tetrachlorosulfolane;Nopcocide DS 649;DS 649;Caswell No. 833B;DAC 649;3,3,4,4-tetrachlorothiolane 1,1-dioxide;CP 78601;EINECS 223-113-9;UNII-SJY4TJ4WC1;SJY4TJ4WC1;EPA Pesticide Chemical Code 103101;Thiophene, 3,3,4,4-tetrachlorotetrahydro-, 1,1-dioxide;DTXSID7041461;3,3,4,4-Tetrachlorotetrahydrothiophene-1,1-dioxide;Tetrahydro-3,3,4,4-tetrachlorothiophene 1,1-dioxide;Thiophene, tetrahydro-3,3,4,4-tetrachloro-, 1,1-dioxide;3,3,4,4-Tetrachlorotetrahydrothiophene1,1-dioxide;C4H4Cl4O2S;SCHEMBL1791383;C4-H4-Cl4-O2-S;CHEMBL3185246;DTXCID5021461;GCAXGCSCRRVVLF-UHFFFAOYSA-;3,3,4,4-tetrachloro-sulpholane;Tox21_302200;MFCD00154882;STK367306;AKOS000269501;NCGC00255452-01;CP-78601;CAS-3737-41-5;LS-153194;CS-0271192;T2504;T72383;3,3,4,4-tetrachloro tetrahydrothiophene 1,1-dioxide;Q27289245;Z57056469;3,3,4,4-TETRACHLORO-1??-THIOLANE-1,1-DIONE;3,4-DICHLOROTETRAHYDROTHIOPHENE 1,1-DIOXIDE, CIS;3,3,4,4-TETRACHLOROTETRAHYDROTHIOPHENE 1, 1-DIOXIDE;TETRACHLOROTETRAHYDROTHIOPHENE 1,1-DIOXIDE, 3,3,4,4-

Chemical Property of 3,3,4,4-Tetrachlorotetrahydrothiophene 1,1-dioxide

Chemical Property:

• Vapor Pressure: 3.25E-06mmHg at 25°C
• Melting Point: 174 °C
• Boiling Point: 399°Cat760mmHg
• Flash Point: 195.1°C
• PSA: 42.52000
• Density: 1.79g/cm³
• LogP: 2.84340
• Solubility.: soluble in Methanol
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 257.865661
• Heavy Atom Count: 11
• Complexity: 240

Purity/Quality:

99% ^*data from raw suppliers

3,3,4,4-Tetrachlorosulfolane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): A poison by ingestion and skin contact. Moderately toxic by inhalation. A severe skin irritant.
• Hazard Codes: A poison by ingestion and skin contact. Moderately toxic by inhalation. A severe skin irritant.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(C(CS1(=O)=O)(Cl)Cl)(Cl)Cl

Technology Process of 3,3,4,4-Tetrachlorotetrahydrothiophene 1,1-dioxide

There total 2 articles about 3,3,4,4-Tetrachlorotetrahydrothiophene 1,1-dioxide 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: 68.0%

cis-3,4-dichlorotetrahydrothiophene 1,1-dioxide + trans-3,4-dichlorotetrahydrothiophene-1,1-dioxide → 3,3,4,4-tetrachlorotetrahydrothiophene-1,1-dioxide (3737-41-5)

Guidance literature:

With chlorine; trichlorophosphate; at 65 - 73 ℃; for 13 - 16.5h; Product distribution / selectivity; Mercury lamp irradiation;

Reference yield:

→ 3,3,4,4-tetrachlorotetrahydrothiophene-1,1-dioxide (3737-41-5)

Guidance literature:

3,4-Dichlortetrahydrothiophendioxid, CCl4, Cl2;

Refernces