3-Chloro-2,5-dihydrothiophene 1,1-dioxide

Base Information

• Chemical Name: 3-Chloro-2,5-dihydrothiophene 1,1-dioxide
• CAS No.: 7311-87-7
• Molecular Formula: C4H5ClO2S
• Molecular Weight: 152.5993
• Hs Code.: 2934999090
• European Community (EC) Number: 660-402-2
• DSSTox Substance ID: DTXSID10361311
• Nikkaji Number: J408.557D
• Wikidata: Q82143591
• Mol file: 7311-87-7.mol

Synonyms:7311-87-7;3-chloro-2,5-dihydrothiophene 1,1-dioxide;3-CHLORO-3-THIOLENE-1,1-DIOXIDE;3-chloro-3-sulfolene;CDS1_000195;Maybridge1_002483;DivK1c_001235;SCHEMBL3087156;HMS548I19;DTXSID10361311;3-CHLORO-2,5-DIHYDRO-1H-1LAMBDA6-THIOPHENE-1,1-DIONE;CCG-44894;MFCD00154884;STL325393;AKOS000269518;AS-9179;2,5-Dihydro-3-chlorothiophene 1,1-dioxide;CS-0313150;FT-0615309;Thiophene,3-chloro-2,5-dihydro-,1,1-dioxide;3-chloro-2,5-dihydro-1|E?-thiophene-1,1-dione;3-chloro-2,5-dihydro-1lambda6-thiophene-1,1-dione;SR-01000634699-1;3-Chloro-2,5-dihydro-1H-1lambda~6~-thiophene-1,1-dione

Chemical Property of 3-Chloro-2,5-dihydrothiophene 1,1-dioxide

Chemical Property:

• Vapor Pressure: 7.31E-05mmHg at 25°C
• Melting Point: 90 °C
• Refractive Index: 1.544
• Boiling Point: 353.4 °C at 760 mmHg
• Flash Point: 167.6 °C
• PSA: 42.52000
• Density: 1.51 g/cm³
• LogP: 1.61830
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 151.9698783
• Heavy Atom Count: 8
• Complexity: 209

Purity/Quality:

97% ^*data from raw suppliers

3-Chloro-2,5-dihydrothiophene1,1-dioxide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: Xi
• Statements: R36/37/38:Irritating to eyes, respiratory system and skin.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39:Wear suitable g

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Chloro-2,5-dihydrothiophene 1,1-dioxide

There total 3 articles about 3-Chloro-2,5-dihydrothiophene 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%

sodium thiophenolate (930-69-8) + 3-bromo-4-chloro-2,3-dihydrothiophene-1,1-dioxide (114079-02-6) → 2,5-dihydro-3-(Cl)thiophene 1,1-dioxide (7311-87-7) + 4-chloro-3-(phenylthio)-3-sulfolene (114397-22-7) + 4-chloro-3-(phenylthio)-2-sulfolene (114397-10-3)

Guidance literature:

In methanol; ethanol; for 48h; Product distribution; Heating; other 3-heterosubstituted 4-bromo-2-sulfolenes, other nucleophiles, var. concs.;

DOI:10.1021/jo00248a023

Reference yield:

chloroprene (126-99-8,14523-89-8,9010-98-4) → 2,5-dihydro-3-(Cl)thiophene 1,1-dioxide (7311-87-7)

Guidance literature:

With 2-hydroxyresorcinol;

Reference yield:

→ 2,5-dihydro-3-(Cl)thiophene 1,1-dioxide (7311-87-7)

Guidance literature:

aus 2-Chlorbutadien und SO2;

upstream raw materials:

sodium thiophenolate

3-bromo-4-chloro-2,3-dihydrothiophene-1,1-dioxide

chloroprene

Downstream raw materials:

2-(phenylthio)-1,3-butadiene