2-Bromoethanesulfonyl chloride

Base Information

• Chemical Name: 2-Bromoethanesulfonyl chloride
• CAS No.: 54429-56-0
• Molecular Formula: C2H4BrClO2S
• Molecular Weight: 207.476
• Hs Code.: 2904909090
• European Community (EC) Number: 803-789-7
• DSSTox Substance ID: DTXSID00541842
• Wikidata: Q82418292
• Mol file: 54429-56-0.mol

Synonyms:2-BROMOETHANESULFONYL CHLORIDE;54429-56-0;2-Bromoethane-1-sulfonyl chloride;MFCD08274930;Ethanesulfonyl chloride, 2-bromo-;2-bromo-ethanesulfonyl chloride;SCHEMBL2020663;DTXSID00541842;FPJOBRDFPQKHLI-UHFFFAOYSA-N;2-BROMOETHANESULFONYLCHLORIDE;AMY20174;AKOS006334539;AS-32449;SY008203;2-Bromoethanesulfonyl chloride, AldrichCPR;EN300-211483;A902272

Chemical Property of 2-Bromoethanesulfonyl chloride

Chemical Property:

• Refractive Index: 1.5242
• Boiling Point: 119-121 °C(Press: 21 Torr)
• PSA: 42.52000
• Density: 1.9210
• LogP: 2.03070
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 205.88039
• Heavy Atom Count: 7
• Complexity: 123

Purity/Quality:

98%min ^*data from raw suppliers

2-Bromoethanesulfonylchloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C(CBr)S(=O)(=O)Cl

Technology Process of 2-Bromoethanesulfonyl chloride

There total 4 articles about 2-Bromoethanesulfonyl 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: 78.0%

sodium 2-bromethanesulfonate (4263-52-9) → 2-bromoethanesulfonyl chloride (54429-56-0)

Guidance literature:

With phosphorus pentachloride; at 70 - 130 ℃; for 1h;

DOI:10.1016/j.bmcl.2008.09.004

Reference yield:

bromoethanesulfonic acid → 2-bromoethanesulfonyl chloride (54429-56-0)

Guidance literature:

With phosphorus pentachloride;

Reference yield:

→ 2-bromoethanesulfonyl chloride (54429-56-0)

Guidance literature:

With phosphorus pentachloride;

upstream raw materials:

ethylene dibromide

sodium 2-bromethanesulfonate

Downstream raw materials:

taurinamide hydrochloride

1,3,2'-tri-N-(tert-butoxycarbonyl)-6'-vinylsulfonylneamine

N-benzylethylenesulfonamide

tert-butyl 5-amino-2-methylthio-4-(3-(vinylsulfonamido)-phenyl)-thieno[2,3-d]pyrimidine-6-carboxamide

Refernces

• 1、 Gao, Feng,Yan, Xuxu,Zahr, Omar,Larsen, Aaron,Vong, Kenward,Auclair, Karine. "Synthesis and use of sulfonamide-, sulfoxide-, or sulfone-containing aminoglycoside-CoA bisubstrates as mechanistic probes for aminoglycoside N-6′-acetyltransferase". supporting information; experimental part. p. 5518 - 5522. Retrieved 2009/05/30.