Description

1,1,1-Trichloro-2-chlorosulfonyloxyethane (CAS No. 764-09-0) is a highly specialized organochlorine compound with the molecular formula C₂H₂Cl₄O₃S. This reactive chemical is characterized by its trichloroethyl group bonded to a chlorosulfonate moiety, making it a valuable intermediate in synthetic organic chemistry. It is supplied as a high-purity reagent for researchers and industrial applications, ensuring consistency in reactions such as sulfonylation and chlorination. Proper handling under inert conditions is recommended due to its moisture-sensitive and potentially corrosive nature. Ideal for controlled laboratory use by experienced chemists.

Properties

• CAS Number: 764-09-0
• Complexity: 186
• IUPAC Name: 1,1,1-trichloro-2-chlorosulfonyloxy-ethane
• InChI: InChI=1S/C2H2Cl4O3S/c3-2(4,5)1-9-10(6,7)8/h1H2
• InChI Key: MFQWRQASGSRKAJ-UHFFFAOYSA-N
• Exact Mass: 247.844926
• Molecular Formula: C2H2Cl4O3S
• Molecular Weight: 247.9
• SMILES: C(C(Cl)(Cl)Cl)OS(=O)(=O)Cl
• Topological: 51.8
• Monoisotopic Mass: 245.847876
• Synonyms: 1,1,1-trichloro-2-chlorosulfonyloxyethane, 897-585-5, 2,2,2-TRICHLOROETHYL CHLOROSULFATE, 764-09-0, 2,2,2-trichloroethoxysulfonyl chloride, 2,2,2-Trichloroethyl sulfochloridate, Chlorosulfuric acid, 2,2,2-trichloroethyl ester, 2,2,2-Trichloroethyl sulfurochloridate, SCHEMBL14685975, DTXSID60471414, AAA76409, 2,2,2-Trichloroethylsulfochloridate, AKOS006334239, G89992

Application

1,1,1-Trichloro-2-chlorosulfonyloxyethane is primarily used as a versatile sulfonating or chlorinating agent in organic synthesis. It finds application in the preparation of sulfonate esters and other derivatives for pharmaceutical or agrochemical research. The compound’s reactivity is leveraged in specialized transformations where selective functionalization is required. Strict safety protocols must be followed due to its corrosive and reactive properties.

Safety and Hazards

GHS Hazard Statements

• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

Precautionary Statements

• P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501

Hazard Classes and Categories

• Skin Corr. 1B (100%)

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