3-BroMobenzenesulfonyl fluoride

Base Information

• Chemical Name: 3-BroMobenzenesulfonyl fluoride
• CAS No.: 454-65-9
• Molecular Formula: C6H4BrFO2S
• Molecular Weight: 239.065
• Hs Code.: 2904909090
• Mol file: 454-65-9.mol

Synonyms:3-bromophenylsulfonyl fluoride;3-Brom-benzolsulfonylfluorid;3-bromo-benzenesulfonyl fluoride;

Chemical Property of 3-BroMobenzenesulfonyl fluoride

Chemical Property:

• Refractive Index: n/D 1.5392
• Boiling Point: 122 °C(Press: 23 Torr)
• Flash Point: >110°C
• PSA: 42.52000
• Density: 1.7355 at 25 °C
• LogP: 3.18810
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C

Purity/Quality:

98% ^*data from raw suppliers

3-Bromobenzenesulfonyl fluoride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Sulfonyl fluoride motif can be used as a connector for the assembly of -SO2- linked small molecules with proteins or nucleic acids. This new click chemistry approach through sulfates is a complimentary approach to using amides and phosphate groups as linkers.

Technology Process of 3-BroMobenzenesulfonyl fluoride

There total 5 articles about 3-BroMobenzenesulfonyl fluoride 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: 99.0%

3-Bromobenzenesulfonyl chloride (2905-24-0) → 3-bromobenzene-1-sulfonyl fluoride (454-65-9)

Guidance literature:

With potassium hydrogenfluoride; In water; acetonitrile; at 20 ℃; for 24h;

DOI:10.1016/j.tet.2019.130782

Reference yield: 71.0%

3-bromobenzene-1-diazonium tetrafluoroborate → 3-bromobenzene-1-sulfonyl fluoride (454-65-9)

Guidance literature:

With sodium metabisulfite; N-fluorobis(benzenesulfon)imide; In water; acetonitrile; at 60 ℃; for 6h; Inert atmosphere;

DOI:10.1016/j.jfluchem.2020.109653

Reference yield: 70.0%

3-bromophenylhydrazine hydrochloride (27246-81-7) → 3-bromobenzene-1-sulfonyl fluoride (454-65-9)

Guidance literature:

With pyridine; copper (II) carbonate hydroxide; 1,4-diazabicyclo [2.2.2] octane-1,4-diium-1,4-disulfinate; N-fluorobis(benzenesulfon)imide; In acetonitrile; at 40 ℃; for 2h; Sealed tube; Inert atmosphere;

DOI:10.1039/d1ob01697k

upstream raw materials:

3-amino-benzenesulfonyl fluoride

3-Bromobenzenesulfonyl chloride

m-Bromoaniline

3-bromophenylhydrazine hydrochloride

Downstream raw materials:

1-bromo-3-[(trifluoromethyl)sulfonyl]benzene

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