2,4-Dichloro-5-sulfamoylbenzoic acid

Base Information

• Chemical Name: 2,4-Dichloro-5-sulfamoylbenzoic acid
• CAS No.: 2736-23-4
• Molecular Formula: C7H5Cl2NO4S
• Molecular Weight: 270.093
• Hs Code.: 29350090
• European Community (EC) Number: 220-358-3
• UNII: LEG53TF0SN
• DSSTox Substance ID: DTXSID90181791
• Nikkaji Number: J41.159K
• Wikidata: Q27282949
• Pharos Ligand ID: H9JY3QGAAWP4
• ChEMBL ID: CHEMBL120886
• Mol file: 2736-23-4.mol

Synonyms:2,4-dichloro-5-sulfamoylbenzoic acid;lasamide

Chemical Property of 2,4-Dichloro-5-sulfamoylbenzoic acid

Chemical Property:

• Appearance/Colour: white to off-white crystalline powder
• Vapor Pressure: 5.7E-11mmHg at 25°C
• Melting Point: 230-232 °C (dec.)(lit.)
• Refractive Index: 1.6000 (estimate)
• Boiling Point: 503.8 °C at 760 mmHg
• PKA: 2.08±0.25(Predicted)
• Flash Point: 258.5 °C
• PSA: 105.84000
• Density: 1.744 g/cm³
• LogP: 3.12010
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: DMSO (Slightly), Methanol (Slightly, Heated)
• Water Solubility.: insoluble
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 268.9316342
• Heavy Atom Count: 15
• Complexity: 353

Purity/Quality:

99.9% ^*data from raw suppliers

2,4-Dichloro-5-sulfamoylbenzoic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Benzenesulfonic Acid Derivatives
• Canonical SMILES: C1=C(C(=CC(=C1S(=O)(=O)N)Cl)Cl)C(=O)O
• Uses: 2,4-Dichloro-5-sulfamoylbenzoic Acid is a chlorinated sulfamoylbenzoic acid with diuretic acid.

Technology Process of 2,4-Dichloro-5-sulfamoylbenzoic acid

There total 3 articles about 2,4-Dichloro-5-sulfamoylbenzoic acid 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:

2,4-dichloro-5-(chlorosulfonyl)benzoic acid (3740-18-9) → 2,4-dichloro-5-sulfamoylbenzoic acid (2736-23-4)

Guidance literature:

With ammonium hydroxide;

DOI:10.1021/jm00255a010

Reference yield:

2,4 dichlorobenzoic acid (50-84-0) → 2,4-dichloro-5-sulfamoylbenzoic acid (2736-23-4)

Guidance literature:

Multi-step reaction with 2 steps

1: ClSO₃H

2: aq. NH₃

With chlorosulfonic acid; ammonium hydroxide;

DOI:10.1021/jm00255a010

Reference yield:

→ 2,4-dichloro-5-sulfamoylbenzoic acid (2736-23-4)

Guidance literature:

upstream raw materials:

2,4-dichloro-5-(chlorosulfonyl)benzoic acid

2,4 dichlorobenzoic acid

Downstream raw materials:

ethyl 2,4-dichloro-5-sulfamoylbenzoate

2-(benzylamino)-4-chloro-5-sulfamoylbenzoic acid

2,4-dichloro-N-(2-methoxyethyl)-5-sulfamoyl-benzamide

N-butyl-2,4-dichloro-5-sulfamoyl-benzamide

Refernces

• 1、 -. "IL-8 RECEPTOR ANTAGONISTS". Page/Page column 44-45. . Retrieved 2008/12/06.