Sulfuryl chloride

Base Information

• Chemical Name: Sulfuryl chloride
• CAS No.: 7791-25-5
• Molecular Formula: Cl2O2S
• Molecular Weight: 134.971
• Hs Code.: 28121099
• European Community (EC) Number: 232-245-6
• ICSC Number: 0198
• UN Number: 1834
• UNII: JD26K0R3J1
• DSSTox Substance ID: DTXSID6029707
• Nikkaji Number: J95.299K
• Wikipedia: Sulfuryl chloride
• Wikidata: Q409926
• ChEMBL ID: CHEMBL3186735
• Mol file: 7791-25-5.mol

Synonyms:ClSO2Cl;sulfonyl chloride

Chemical Property of Sulfuryl chloride

Chemical Property:

• Appearance/Colour: colourless or pale yellow li
• Vapor Pressure: 100 mm Hg ( 17.8 °C)
• Melting Point: -54 °C
• Refractive Index: n20/D 1.443(lit.)
• Boiling Point: 69.1 °C at 760 mmHg
• Flash Point: 69.1 °C
• PSA: 42.52000
• Density: 1.865 g/cm³
• LogP: 1.78960
• Storage Temp.: Hygroscopic, Room Temperature, under inert atmosphere
• Sensitive.: Moisture Sensitive
• Solubility.: Miscible with benzene, toluene, chloroform, ether, carbon tetrac
• Water Solubility.: reacts
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 133.8996058
• Heavy Atom Count: 5
• Complexity: 85.3
• Transport DOT Label: Poison Inhalation Hazard Corrosive

Purity/Quality:

99% ^*data from raw suppliers

Sulfuryl chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34-40-14-37-67
• Safety Statements: 26-45-36/37-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Toxic Gases & Vapors -> Acid Halides
• Canonical SMILES: O=S(=O)(Cl)Cl
• Inhalation Risk: A harmful contamination of the air can be reached very quickly on evaporation of this substance at 20 °C.
• Effects of Short Term Exposure: The substance is corrosive to the eyes, skin and respiratory tract. Inhalation of the vapour may cause lung oedema. The substance may cause effects on the respiratory tract. Exposure could cause death. The effects may be delayed. Medical observation is indicated.
• Uses: Sulfuryl chloride is used as a chlorinating and sulfonating agent in organic synthesis. It also is used in military gas. Sulfuryl Chloride is a reagent used in the synthesis of catecholic flavonoids as telomerase inhibitors. It is also used to prepare (pyrenebutanamido)thiourea derivs. for anion PET chemosensors. Chlorinating and sulfonating or chlorosulfonating agent in organic syntheses, e.g., in the manufacture of chlorophenol and chlorothymol. Has been used in war gas formulations.
• Physical properties: Colorless, mobile liquid; turns yellow on standing; very pungent odor; refractive index 1.4437 at 20°C; density 1.667 g/mL at 20°C; vapors heavier than air, vapor density 4.7 (air=1); melts at -51°C; boils at 69.4°C; sparingly soluble in water, decomposing slowly to sulfuric and hydrochloric acids; forms a hydrate SO2Cl2?15H2O with ice-cold water; miscible with benzene, toluene, chloroform, carbon tetrachloride, and glacial acetic acid; decomposed by alkalies (violent reaction occurs).

Technology Process of Sulfuryl chloride

There total 84 articles about Sulfuryl chloride 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: 90.0%

chlorosulfonic acid (7790-94-5) → sulfuryl dichloride (7791-25-5) + sulfuric acid (7664-93-9)

Guidance literature:

uranyl chloride; In neat (no solvent); equilibrium on thermal decompn.;; distillation;;

Reference yield: 60.0%

chlorosulfonic acid (7790-94-5) → sulfuryl dichloride (7791-25-5)

Guidance literature:

mercury(II) sulfate; In neat (no solvent); laboratory synthesis; detailed description of apparatus and handling given; Hg (1 weight %); reflux (1 h); cooling water (75-95°C);;

Reference yield:

thionyl chloride (7719-09-7) + mercury(II) oxide (12653-71-3) → disulfur dichloride (10025-67-9) + sulfuryl dichloride (7791-25-5) + mercury dichloride

Guidance literature:

In neat (no solvent); excess of SOCl2;;

DOI:10.1021/ja01920a004

upstream raw materials:

3,3-dimethyl-allyl chloride

dibenzoyl peroxide

isopentyl formate

chlorine

Downstream raw materials:

2-chloropyrrole

4-Chloropyridine

1,3-Dimethyl-4-chlor-pyrazol

2,3,4-trichloropyridine

Refernces

• 1、 -. "Preparation method for 2,4-dichlorophenol, and preparation method for 2,4-dichlorophenolate". Paragraph 0061; 0064. . Retrieved 2018/09/08.
• 2、 Romano, Rosana M.,Vedova, Carlos O.Della,Beckers, Helmut,Willner, Helge. "Photochemistry of SO2/CI2/O2 gas mixtures: Synthesis of the new peroxide CISO2OOSO2CI". . p. 1906 - 1910. Retrieved 2009/07/18.