2,2,2-Trichloroethyl chlorosulfate

Base Information

• Chemical Name: 2,2,2-Trichloroethyl chlorosulfate
• CAS No.: 764-09-0
• Molecular Formula: C2H2Cl4O3S
• Molecular Weight: 247.914
• Hs Code.: 2904990090
• European Community (EC) Number: 897-585-5
• DSSTox Substance ID: DTXSID60471414
• Nikkaji Number: J2.013.142J
• Wikidata: Q82299916
• Mol file: 764-09-0.mol

Synonyms:2,2,2-TRICHLOROETHYL CHLOROSULFATE;764-09-0;1,1,1-trichloro-2-chlorosulfonyloxyethane;Chlorosulfuric acid, 2,2,2-trichloroethyl ester;2,2,2-Trichloroethyl sulfurochloridate;SCHEMBL14685975;DTXSID60471414;2,2,2-Trichloroethylsulfochloridate;2,2,2-Trichloroethyl sulfochloridate;AKOS006334239;2,2,2-trichloroethoxysulfonyl chloride;FT-0675443

Chemical Property of 2,2,2-Trichloroethyl chlorosulfate

Chemical Property:

• Vapor Pressure: 0.055mmHg at 25°C
• Boiling Point: 241.849oC at 760 mmHg
• Flash Point: 100.067oC
• PSA: 51.75000
• Density: 1.843g/cm3
• LogP: 2.93760
• Storage Temp.: Hygroscopic, Refrigerator, Under Inert Atmosphere
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 247.844926
• Heavy Atom Count: 10
• Complexity: 186

Purity/Quality:

97% ^*data from raw suppliers

2,2,2-TrichloroethylChlorosulfate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(Cl)(Cl)Cl)OS(=O)(=O)Cl
• Uses: An alkyl

Technology Process of 2,2,2-Trichloroethyl chlorosulfate

There total 1 articles about 2,2,2-Trichloroethyl chlorosulfate 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: 97.0%

1,1,1-trichloroethanol (115-20-8) → chlorosulfuric acid 2,2,2-trichloroethyl ester (764-09-0)

Guidance literature:

With pyridine; sulfuryl dichloride; at -80 - 20 ℃; for 24h; Inert atmosphere;

DOI:10.1016/j.tet.2014.05.064 DOI:10.1016/j.tet.2014.05.064

Reference yield: 99.0%

chlorosulfuric acid 2,2,2-trichloroethyl ester (764-09-0) + 3-hydroxy-2,11,12-trimethoxy-14-[4-methoxy-3-(methoxymethoxy)phenyl]-6H-[1]benzopyrano[4',3':4,5]pyrrolo[2,1-a]isoquinolin-6-one (1225441-64-4) → 2,2,2-trichloroethyl 2,11,12-trimethoxy-14-[4-methoxy-3-(methoxymethoxy)phenyl]-6-oxo-6H-[1]benzopyrano[4',3':4,5]pyrrolo[2,1-a]isoquinolin-3-yl sulfate (1225441-65-5)

Guidance literature:

With dmap; triethylamine; In dichloromethane; at 0 - 20 ℃; for 10h; Inert atmosphere;

DOI:10.1016/j.bmc.2011.10.030

Reference yield: 99.0%

chlorosulfuric acid 2,2,2-trichloroethyl ester (764-09-0) + 8,9-dihydro-3-hydroxy-2,11,12-trimethoxy-14-[4-methoxy-3-(methoxymethoxy)phenyl]-6H-[1]benzopyrano[4',3':4,5]pyrrolo[2,1-a]isoquinolin-6-one (1352336-50-5) → 8,9-dihydro-2,11,12-trimethoxy-14-[4-methoxy-3-(methoxymethoxy)phenyl]-6-oxo-6H-[1]benzopyrano[4',3':4,5]pyrrolo[2,1-a]isoquinolin-3-yl 2,2,2-trichloroethyl sulfate (1352336-51-6)

Guidance literature:

With dmap; triethylamine; In dichloromethane; at 0 - 20 ℃; for 10h; Inert atmosphere;

DOI:10.1016/j.bmc.2011.10.030

upstream raw materials:

1,1,1-trichloroethanol

Downstream raw materials:

sulfuric acid 4-nitrophenyl ester 2,2,2-trichloroethyl ester

Sulfuric acid p-tolyl ester 2,2,2-trichloro-ethyl ester

Sulfuric acid 2,4,6-trichlorophenyl 2,2,2-trichloroethyl ester

4-(2,2,2-trichloroethoxysulfonyloxy)benzoic acid benzyl ester