2-Bromobenzenesulfonamide

Base Information

• Chemical Name: 2-Bromobenzenesulfonamide
• CAS No.: 92748-09-9
• Molecular Formula: C6H6 Br N O2 S
• Molecular Weight: 236.089
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID30384224
• Nikkaji Number: J1.779.041B
• Wikidata: Q72451538
• Pharos Ligand ID: 6K7XSN5BJ7NV
• ChEMBL ID: CHEMBL1946184
• Mol file: 92748-09-9.mol

Synonyms:2-Bromobenzenesulfonamide;92748-09-9;2-bromobenzenesulphonamide;2-Bromobenzene-1-sulfonamide;CHEMBL1946184;MFCD00173662;2-Bromo benzene sulfon amide;bromobenzenesulfonamide;bromobenzene sulfonamide;2-bromophenylsulfonamide;o-bromobenzenesulfonamide;2-bromo-benzenesulfonamide;2-bromo benzene sulfonamide;SCHEMBL344271;2-Bromobenzenesulfonamide, 97%;DTXSID30384224;YSFGGXNLZUSHHS-UHFFFAOYSA-N;BDBM50363492;AKOS000146069;AB04351;PS-4702;SY021783;CS-0022414;FT-0611530;EN300-26998;F20910;A844327;J-508503;Z45415642

Chemical Property of 2-Bromobenzenesulfonamide

Chemical Property:

• Vapor Pressure: 8.31E-06mmHg at 25°C
• Melting Point: 192-193 ºC
• Refractive Index: 1.614
• Boiling Point: 374.5°Cat760mmHg
• PKA: 9.66±0.60(Predicted)
• Flash Point: 180.3°C
• PSA: 68.54000
• Density: 1.754g/cm³
• LogP: 2.87760
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 234.93026
• Heavy Atom Count: 11
• Complexity: 221

Purity/Quality:

97% ^*data from raw suppliers

2-Bromobenzenesulfonamide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 22-36/37/38
• Safety Statements: 22-36/37-37/39-26

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Bromobenzenesulfonamide

There total 3 articles about 2-Bromobenzenesulfonamide 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: 75.0%

o-bromothiophenol (6320-02-1) → 2-bromobenzene-1-sulfonamide (92748-09-9)

Guidance literature:

With tert.-butylhydroperoxide; ammonium hydroxide; iodine; In water; acetonitrile; at 100 ℃; for 16h;

DOI:10.1039/c6ob01301e

Reference yield:

o-bromobenzenesulfonyl chloride (2905-25-1) → 2-bromobenzene-1-sulfonamide (92748-09-9)

Guidance literature:

With ammonium hydroxide; at 20 ℃; for 20h; Yield given;

Reference yield:

2,N,N-Dimethylaminoformylsulfonamidobromobenzene + 4-methylphenylboronic acid (5720-05-8) + water (7732-18-5) + sodium carbonate (497-19-8) + 2-bromoaniline (615-36-1) → 2-bromobenzene-1-sulfonamide (92748-09-9)

Guidance literature:

With triphenylphosphine; palladium diacetate; In ethanol; ethyl acetate; toluene;

upstream raw materials:

o-bromobenzenesulfonyl chloride

4-methylphenylboronic acid

water

sodium carbonate

Downstream raw materials:

N-{3-[4-(2-Bromo-benzenesulfonylaminocarbonyl)-2-methoxy-benzyl]-1-methyl-1H-indol-5-yl}-2-cyclopentyl-acetamide

{3-[4-(2-Bromo-benzenesulfonylaminocarbonyl)-2-methoxy-benzyl]-1-methyl-1H-indazol-5-yl}-carbamic acid cyclopentyl ester

C₁₂H₉BrINO₂S

1-bromo-N-[(propylamino)carbonyl]benzene-2-sulfonamide