4-Chlorobenzenesulfonamide

Base Information

• Chemical Name: 4-Chlorobenzenesulfonamide
• CAS No.: 98-64-6
• Molecular Formula: C6H6ClNO2S
• Molecular Weight: 191.638
• Hs Code.: 29350090
• European Community (EC) Number: 202-689-5
• NSC Number: 403674,9913
• DSSTox Substance ID: DTXSID6052661
• Nikkaji Number: J3.985C
• ChEMBL ID: CHEMBL804
• Mol file: 98-64-6.mol

Synonyms:4-chlorobenzenesulfonamide

Chemical Property of 4-Chlorobenzenesulfonamide

Chemical Property:

• Appearance/Colour: White powder.
• Vapor Pressure: 7.63E-05mmHg at 25°C
• Melting Point: 140-144 °C(lit.)
• Refractive Index: 1.59
• Boiling Point: 342.2 °C at 760 mmHg
• PKA: 9.89±0.10(Predicted)
• Flash Point: 160.8 °C
• PSA: 68.54000
• Density: 1.47 g/cm³
• LogP: 2.76850
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• Water Solubility.: 1.322g/L(15 oC)
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 190.9807773
• Heavy Atom Count: 11
• Complexity: 213

Purity/Quality:

97% ^*data from raw suppliers

4-Chlorobenzenesulfonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1S(=O)(=O)N)Cl

Technology Process of 4-Chlorobenzenesulfonamide

There total 74 articles about 4-Chlorobenzenesulfonamide 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%

p-chlorobenzenesulfonyl azide (4547-68-6) → 4-Chlorobenzenesulfonamide (98-64-6)

Guidance literature:

With D-glucose; potassium hydroxide; In water; at 85 ℃; for 0.166667h; chemoselective reaction; Green chemistry;

DOI:10.1039/c7gc01593c

Reference yield: 90.0%

carbamic acid phenyl ester (622-46-8) + 4-chlorobenzenesulfonyl chloride (98-60-2) → 4-Chlorobenzenesulfonamide (98-64-6) + 4-chlorobenzolsulfonsaeure-phenylester (2437-33-4)

Guidance literature:

With sodium hydride; In tetrahydrofuran; at 45 ℃; for 16h;

DOI:10.1016/j.tetlet.2003.10.139

Reference yield: 89.0%

thiourea (17356-08-0) + N-[1-(4-methoxyphenyl)-2-phenyl-2,2-dichloroethyl]parachlorophenylsulfonamide (401516-39-0) → 4-Chlorobenzenesulfonamide (98-64-6) + 5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-amine (121244-35-7)

Guidance literature:

With sodium carbonate; In N,N-dimethyl-formamide; at 100 ℃; for 5h;

DOI:10.1134/S1070428011040178

upstream raw materials:

4-chlorobenzenesulfonyl chloride

p-chlorobenzenesulfonyl azide

N-methylaniline

4-pyridinethione

Downstream raw materials:

N-(2-hydroxyethyl)-4-chlorobenzenesulfonamide

4-chloro-benzenesulfonic acid-[bis-(2-hydroxy-ethyl)-amide]

4-chloro-benzenesulfonic acid furfurylidenamide

sulfamethylthiazole