4-Bromomethylbenzenesulfonamide

Base Information

• Chemical Name: 4-Bromomethylbenzenesulfonamide
• CAS No.: 40724-47-8
• Molecular Formula: C7H8BrNO2S
• Molecular Weight: 250.116
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID80522710
• Nikkaji Number: J1.692.050I
• Wikidata: Q72446671
• Mol file: 40724-47-8.mol

Synonyms:4-Bromomethylbenzenesulfonamide;40724-47-8;4-(bromomethyl)benzenesulfonamide;4-BROMOMETHYL-BENZENESULFONAMIDE;4-(bromomethyl)benzene-1-sulfonamide;Benzenesulfonamide, 4-(bromomethyl)-;p-Bromomethylbenzenesulfonamide;SCHEMBL185587;4-bromomethyl benzenesulfonamide;4-(Aminosulfonyl)benzyl bromide;4-bromomethyl-benzene sulfonamide;DTXSID80522710;4-bromomethyl-benzene-sulphonamide;QNJHTLTUBNXLFS-UHFFFAOYSA-N;MFCD08752696;AKOS014817729;AM10322;CS-W003936;GS-4333;SY004836;BENZENESULFONAMIDE,4-(BROMOMETHYL)-;EN300-277962;J-514825

Chemical Property of 4-Bromomethylbenzenesulfonamide

Chemical Property:

• Vapor Pressure: 3.56E-06mmHg at 25°C
• Melting Point: 191-192℃
• Refractive Index: 1.614
• Boiling Point: 386.4 °C at 760 mmHg
• PKA: 9.99±0.10(Predicted)
• Flash Point: 187.5 °C
• PSA: 68.54000
• Density: 1.691 g/cm³
• LogP: 3.01000
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 248.94591
• Heavy Atom Count: 12
• Complexity: 226

Purity/Quality:

99% ^*data from raw suppliers

4-Bromomethylbenzenesulfonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CBr)S(=O)(=O)N

Technology Process of 4-Bromomethylbenzenesulfonamide

There total 8 articles about 4-Bromomethylbenzenesulfonamide 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: 98.0%

4-(bromomethyl)benzene-1-sulfonyl chloride (66176-39-4) → 4-bromomethyl-benzenesulfonamide (40724-47-8)

Guidance literature:

With ammonium hydroxide; In tetrahydrofuran; water; at 20 ℃; for 1h;

DOI:10.1002/cmdc.201000530

Reference yield: 81.0%

4-(hydroxymethyl)benzenesulfonamide (67472-44-0) → 4-bromomethyl-benzenesulfonamide (40724-47-8)

Guidance literature:

With phosphorus tribromide; In tetrahydrofuran;

DOI:10.1016/S0960-894X(02)00092-6

Reference yield:

toluene-4-sulfonamide (70-55-3) → 4-bromomethyl-benzenesulfonamide (40724-47-8)

Guidance literature:

With N-Bromosuccinimide; dibenzoyl peroxide; In chloroform-d1; at 63 ℃;

upstream raw materials:

4-(bromomethyl)benzene-1-sulfonyl chloride

4-(hydroxymethyl)benzenesulfonamide

4-formyl-benzenesulfonamide

4-cyanobenzenesulfonamide

Downstream raw materials:

formylamino-(4-sulfamoyl-benzyl)-malonic acid diethyl ester

2-Ethyl-hexanoic acid [1-(4-benzoylsulfamoyl-benzyl)-1H-indol-6-yl]-amide

1-Methyl-2,4-dioxo-3-(4-sulfamoyl-benzyl)-1,2,3,4-tetrahydro-thieno[2,3-d]pyrimidine-6-carboxylic acid 4-methoxy-benzylamide

C₁₆H₂₀N₂O₂S

Refernces

• 1、 -. "COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY". Page/Page column 335-336. . Retrieved 2020/06/10.
• 2、 -. "SULPHONAMIDES AND COMPOSITIONS THEREOF FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY". Page/Page column 481. . Retrieved 2019/05/10.