4-Chlorobenzenesulfonylurea

Base Information

• Chemical Name: 4-Chlorobenzenesulfonylurea
• CAS No.: 22663-37-2
• Molecular Formula: C7H7ClN2O3S
• Molecular Weight: 234.663
• Hs Code.: 2935009090
• European Community (EC) Number: 245-149-4
• DSSTox Substance ID: DTXSID8057691
• Nikkaji Number: J286.269G
• Wikidata: Q72517160
• Metabolomics Workbench ID: 42565
• ChEMBL ID: CHEMBL3184360
• Mol file: 22663-37-2.mol

Synonyms:4-chlorobenzenesulfonylurea;para-chlorobenzene-sulfonylurea

Chemical Property of 4-Chlorobenzenesulfonylurea

Chemical Property:

• Melting Point: 167.0 to 171.0 °C
• Refractive Index: 1.602
• PKA: 4.53±0.10(Predicted)
• PSA: 97.64000
• Density: 1.536 g/cm³
• LogP: 2.86900
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 233.9865910
• Heavy Atom Count: 14
• Complexity: 303

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-ChlorobenzenesulfonylUrea ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C,Xi
• Hazard Codes: C,Xi
• Statements: 34
• Safety Statements: 45-36/37/39-26

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Chlorobenzenesulfonylurea

There total 1 articles about 4-Chlorobenzenesulfonylurea 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:

→ p-Chlorobenzenesulfonylurea (22663-37-2)

Guidance literature:

/BRN= 505995/, /BRN= 169290/, /BRN= 471308/ 1) O,5 Std. Kochen; 2) H2O, Na2SO3, HCl, NaHCO3;

Reference yield: 80.0%

p-Chlorobenzenesulfonylurea (22663-37-2) + 2,2-dimethoxyethylamine (22483-09-6) → 1-(4-chlorophenylsulfonyl)-3-(2,2-dimethoxyethyl)urea

Guidance literature:

In 1,4-dioxane; Heating;

Reference yield:

p-Chlorobenzenesulfonylurea (22663-37-2) → 1-(4-chlorophenylsulfonyl)-(1H,3H)-imidazol-2-one

Guidance literature:

Multi-step reaction with 2 steps

1: 80 percent / dioxane / Heating

2: 95 percent / H₂SO₄ / 11 h / 20 °C

With sulfuric acid; In 1,4-dioxane;

Downstream raw materials:

1-(4-chloro-benzenesulfonyl)-3-(5-phenyl-[1,2,4]thiadiazol-3-yl)-urea

N-<4-Chlor-benzolsulfonyl>-N'-<1-phenyl-cyclohexyl>-harnstoff