Chlorosulfonylacetyl chloride

Base Information

• Chemical Name: Chlorosulfonylacetyl chloride
• CAS No.: 4025-77-8
• Deprecated CAS: 1081763-37-2
• Molecular Formula: C2H2Cl2O3S
• Molecular Weight: 177.008
• Hs Code.: 29189990
• European Community (EC) Number: 223-693-3
• DSSTox Substance ID: DTXSID6063270
• Nikkaji Number: J217.837K
• Wikidata: Q81990621
• Mol file: 4025-77-8.mol

Synonyms:Chlorosulfonylacetyl chloride;4025-77-8;Acetyl chloride, (chlorosulfonyl)-;2-chlorosulfonylacetyl chloride;(Chlorosulphonyl)acetyl chloride;Chlorosulfonylacetylchloride;2-(chlorosulfonyl)acetyl chloride;EINECS 223-693-3;Acetyl chloride, 2-(chlorosulfonyl)-;C2H2Cl2O3S;SCHEMBL135774;C2-H2-Cl2-O3-S;DTXSID6063270;Chlorosulfonylacetyl chloride, 95%;AKOS006223179;FT-0635105

Chemical Property of Chlorosulfonylacetyl chloride

Chemical Property:

• Vapor Pressure: 1.29E-22mmHg at 25°C
• Refractive Index: n20/D 1.493(lit.)
• Boiling Point: 242.4 °C at 760 mmHg
• Flash Point: 93.5 °C
• PSA: 59.59000
• Density: 1.727 g/cm³
• LogP: 1.40120
• Storage Temp.: water-free area
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 175.9101705
• Heavy Atom Count: 8
• Complexity: 176

Purity/Quality:

99% ^*data from raw suppliers

Chlorosulfonylacetyl chloride 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34-14-36/37
• Safety Statements: 8-45-36/37/39-26-28-27

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Toxic Gases & Vapors -> Acid Halides
• Canonical SMILES: C(C(=O)Cl)S(=O)(=O)Cl
• Uses: Chlorosulfonylacetyl chloride has been used in:preparation of novel tricyclic benzothiazolo [2,3-c] thiadiazine antagonists of the platelet ADP receptorN-terminal derivatization of peptides in rapid determination of peptide or protein sequences by matrix-assisted laser desorption ionization mass spectrometry

Technology Process of Chlorosulfonylacetyl chloride

There total 5 articles about Chlorosulfonylacetyl 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:

sulfoacetic acid (123-43-3) → chlorosulfonylacetyl chloride (4025-77-8)

Guidance literature:

With thionyl chloride; auf dem Dampfbad;

Reference yield:

acetic acid (64-19-7,77671-22-8) → chlorosulfonylacetyl chloride (4025-77-8)

Guidance literature:

With chlorosulfonic acid; trichlorophosphate;

Reference yield:

sulfoacetic acid (123-43-3) + trichlorophosphate (10025-87-3,12599-09-6,63736-95-8,39380-77-3) → chlorosulfonylacetyl chloride (4025-77-8)

Guidance literature:

at 125 ℃;

DOI:10.1021/ja01530a033

upstream raw materials:

sulfoacetic acid

acetic acid

thionyl chloride

phosphorus pentachloride

Downstream raw materials:

chlorosulfonyl-acetic acid methyl ester

chloro-trimethyl-silane

<(chlorosulfonyl)methyl>(trimethylsiloxy)malononitrile

sulfoacetic acid