5-Bromo-2-fluorobenzenesulfonamide

Base Information

• Chemical Name: 5-Bromo-2-fluorobenzenesulfonamide
• CAS No.: 214209-96-8
• Molecular Formula: C6H5BrFNO2S
• Molecular Weight: 254.08
• European Community (EC) Number: 958-989-8
• DSSTox Substance ID: DTXSID701296172
• Mol file: 214209-96-8.mol

Synonyms:5-bromo-2-fluorobenzenesulfonamide;214209-96-8;5-bromo-2-fluoro-benzenesulfonamide;SCHEMBL1348786;2-fluoro-5-bromophenylsulfonamide;SSONMJWGZLKCAM-UHFFFAOYSA-N;DTXSID701296172;GS0310;MFCD00460435;5-bromo-2-fluorobenzene-1-sulfonamide;AKOS008651905;BS-27706;CS-0208604;EN300-272363;F72113

Chemical Property of 5-Bromo-2-fluorobenzenesulfonamide

Chemical Property:

• PSA: 68.54000
• LogP: 3.01670
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 252.92084
• Heavy Atom Count: 12
• Complexity: 251

Purity/Quality:

98.5% ^*data from raw suppliers

5-Bromo-2-fluorobenzenesulfonamide 95%+ ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Br)S(=O)(=O)N)F

Technology Process of 5-Bromo-2-fluorobenzenesulfonamide

There total 3 articles about 5-Bromo-2-fluorobenzenesulfonamide 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: 90.0%

5-bromo-2-fluorobenzene-1-sulfonyl chloride (339370-40-0) → 5-bromo-2-fluorobenzenesulfonamide (214209-96-8)

Guidance literature:

With ammonium hydroxide; In tetrahydrofuran; at 0 ℃; for 2h;

Reference yield:

5-bromo-2-fluoroaniline (2924-09-6) → 5-bromo-2-fluorobenzenesulfonamide (214209-96-8)

Guidance literature:

Multi-step reaction with 2 steps

1.1: hydrogenchloride; sodium nitrite; water / 0 °C

1.2: 2 h / 0 - 20 °C

2.1: ammonium hydroxide / tetrahydrofuran / 2 h / 0 - 20 °C

With hydrogenchloride; ammonium hydroxide; water; sodium nitrite; In tetrahydrofuran;

DOI:10.1016/j.tetlet.2020.151635

Reference yield:

→ 5-bromo-2-fluorobenzenesulfonamide (214209-96-8)

Guidance literature:

upstream raw materials:

5-bromo-2-fluoroaniline

5-bromo-2-fluorobenzene-1-sulfonyl chloride

Downstream raw materials:

5-bromo-2-(cyclopropylamino)benzenesulfonamide

4-cyclopropyl-7-(3-methoxyphenoxy)-3,4-dihydro-2H-benzo[e][1,2,4]thiadiazine-1,1-dioxide