2-Bromoethanesulfonic acid

Base Information

• Chemical Name: 2-Bromoethanesulfonic acid
• CAS No.: 26978-65-4
• Molecular Formula: C2H5 Br O3 S
• Molecular Weight: 189.03
• Hs Code.: 2904909090
• European Community (EC) Number: 248-150-8
• UNII: F7W8SD7W42
• DSSTox Substance ID: DTXSID30181477
• Nikkaji Number: J23.384F
• Wikidata: Q72455231
• Mol file: 26978-65-4.mol

Synonyms:2-bromoethanesulfonate;2-bromoethanesulfonic acid;2-bromoethanesulfonic acid, sodium salt

Chemical Property of 2-Bromoethanesulfonic acid

Chemical Property:

• Melting Point: 42-44 C
• Boiling Point: °Cat760mmHg
• PKA: 1.14±0.50(Predicted)
• Flash Point: °C
• PSA: 62.75000
• Density: 2.026g/cm³
• LogP: 1.34990
• Storage Temp.: 2-8°C
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 187.91428
• Heavy Atom Count: 7
• Complexity: 120

Purity/Quality:

99%, ^*data from raw suppliers

2-BromoethanesulfonicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Sulfonic Acids, Alkyl
• Canonical SMILES: C(CBr)S(=O)(=O)O

Technology Process of 2-Bromoethanesulfonic acid

There total 6 articles about 2-Bromoethanesulfonic acid 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:

sodium 2-bromethanesulfonate (4263-52-9) → 2-bromo-1-ethanesulfonic acid (26978-65-4)

Guidance literature:

With hydrogenchloride; In ethanol; at 5 - 20 ℃; for 4h;

Reference yield:

ethylene dibromide (106-93-4) → 2-bromo-1-ethanesulfonic acid (26978-65-4)

Guidance literature:

With ethanol; sodium sulfite;

Reference yield:

→ 2-bromo-1-ethanesulfonic acid (26978-65-4)

Guidance literature:

With hydrogen bromide;

upstream raw materials:

ethenesulfonic acid

ethylene dibromide

2-bromoethanesulfonyl chloride

sodium 2-bromethanesulfonate

Downstream raw materials:

C₁₅H₂₂ClN₃O₅S

2-[1-(2,6-diisopropylphenyl)-1H-imidazol-3-ium-3-yl]ethane-1-sulfonate hydrogen bromide

2-phenylsulfanyl-ethanesulfonic acid

Refernces