2-Chloroethyl trifluoromethanesulfonate

Base Information

• Chemical Name: 2-Chloroethyl trifluoromethanesulfonate
• CAS No.: 73323-80-5
• Molecular Formula: C3H4ClF3O3S
• Molecular Weight: 212.577
• Hs Code.: 2904990090
• European Community (EC) Number: 838-304-8
• NSC Number: 314043
• UNII: ZJ8QW7PCL5
• DSSTox Substance ID: DTXSID10223561
• Nikkaji Number: J2.493.732A
• Wikidata: Q83102016
• ChEMBL ID: CHEMBL167526
• Mol file: 73323-80-5.mol

Synonyms:2-chloroethyl trifluoromethanesulfonate;73323-80-5;NSC 314043;NSC-314043;Methanesulfonic acid, trifluoro-, 2-chloroethyl ester;NSC314043;2-Chloroethyltriflate;ZJ8QW7PCL5;CHEMBL167526;SCHEMBL1924854;DTXSID10223561;AKOS025310225;CS-0231370;2-Chloroethyl 1,1,1-trifluoromethanesulfonate;EN300-1081115;Trifluoro-methanesulfonic acid 2-chloro-ethyl ester;Methanesulfonic acid, 1,1,1-trifluoro-, 2-chloroethyl ester

Chemical Property of 2-Chloroethyl trifluoromethanesulfonate

Chemical Property:

• Vapor Pressure: 1.92mmHg at 25°C
• Boiling Point: 170.8°Cat760mmHg
• Flash Point: 57.1°C
• PSA: 51.75000
• Density: 1.595g/cm³
• LogP: 2.17220
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 211.9521773
• Heavy Atom Count: 11
• Complexity: 203

Purity/Quality:

2-Chloroethyl trifluoromethanesulfonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCl)OS(=O)(=O)C(F)(F)F

Technology Process of 2-Chloroethyl trifluoromethanesulfonate

There total 3 articles about 2-Chloroethyl trifluoromethanesulfonate 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:

ethene (74-85-1) → 2-chloroethyl trifluoromethanesulfonate (73323-80-5) + 1,2-dichloro-ethane (107-06-2,52399-93-6)

Guidance literature:

With trifluoromethanesulfonate; chlorine; at -78 - 20 ℃; Yield given. Yields of byproduct given; various solvents;

Reference yield:

ethene (74-85-1) + tetrabutylammonium trifluoromethylsulfonate (35895-70-6) → 2-chloroethyl trifluoromethanesulfonate (73323-80-5) + 1,2-dichloro-ethane (107-06-2,52399-93-6)

Guidance literature:

With chlorine; at -78 - 20 ℃; Yield given. Yields of byproduct given; various solvents;

Reference yield:

ethene (74-85-1) + lithium trifluoromethanesulfonate (33454-82-9) → 2-chloroethyl trifluoromethanesulfonate (73323-80-5) + 1,2-dichloro-ethane (107-06-2,52399-93-6)

Guidance literature:

With chlorine; at -78 - 20 ℃; Yield given. Yields of byproduct given; various solvents;

upstream raw materials:

ethene

tetrabutylammonium trifluoromethylsulfonate

lithium trifluoromethanesulfonate

Downstream raw materials:

N-(2-chloroethyl)-4-(4-nitrophenylthio)aniline

4-nitrophenyl 4'-phenyl sulfide

CF₃O₃S^(1-)*C₁₆H₁₅ClNO⁽¹⁺⁾

2-(but-3-enyl)-1-(2-chloroethyl)pyridinium triflate