4-Chloro-3-sulfamoylbenzoic acid

Base Information

• Chemical Name: 4-Chloro-3-sulfamoylbenzoic acid
• CAS No.: 1205-30-7
• Molecular Formula: C7H6ClNO4S
• Molecular Weight: 235.648
• Hs Code.: 29350090
• European Community (EC) Number: 214-882-1
• UNII: Q45HDN52UH
• DSSTox Substance ID: DTXSID50152881
• Nikkaji Number: J65.444B
• Wikidata: Q72459525
• Mol file: 1205-30-7.mol

Synonyms:sulfamido-3-chlorobenzoic acid

Chemical Property of 4-Chloro-3-sulfamoylbenzoic acid

Chemical Property:

• Appearance/Colour: White powder
• Vapor Pressure: 6.5E-11mmHg at 25°C
• Melting Point: 256-258 °C(lit.)
• Boiling Point: 502.4 °C at 760 mmHg
• PKA: 3.44±0.10(Predicted)
• Flash Point: 257.6 °C
• PSA: 105.84000
• Density: 1.649 g/cm³
• LogP: 2.46670
• Storage Temp.: Refrigerator
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 234.9706065
• Heavy Atom Count: 14
• Complexity: 323

Purity/Quality:

98% ^*data from raw suppliers

4-Chloro-3-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

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C(=O)O)S(=O)(=O)N)Cl
• Uses: 4-Chloro-3-sulfamoylbenzoic Acid (cas# 1205-30-7) is a compound useful in organic synthesis.

Technology Process of 4-Chloro-3-sulfamoylbenzoic acid

There total 4 articles about 4-Chloro-3-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: 85.0%

4-chloro-3-(chlorosulfonyl)benzoic acid (2494-79-3) → 4-chloro-3-sulphamoylbenzoic acid (1205-30-7)

Guidance literature:

With ammonium hydroxide; In water; at 0 - 20 ℃;

DOI:10.1080/14756366.2019.1629432

Reference yield: 83.0%

para-chlorobenzoic acid (74-11-3) → 4-chloro-3-sulphamoylbenzoic acid (1205-30-7)

Guidance literature:

para-chlorobenzoic acid; With chlorosulfonic acid; at 120 - 140 ℃; for 8h;

With ammonium hydroxide; In tetrahydrofuran; at 0 - 50 ℃; for 0.5h;

DOI:10.1039/c6ob01555g

Reference yield: 81.3%

4-chloro-3-sulfamoylbenzoic acid methyl ester (1208-40-8) → 4-chloro-3-sulphamoylbenzoic acid (1205-30-7)

Guidance literature:

With lithium hydroxide; In tetrahydrofuran; water; at 0 - 20 ℃; for 2h;

DOI:10.1016/j.molstruc.2019.127176

upstream raw materials:

para-chlorobenzoic acid

4-chloro-3-(chlorosulfonyl)benzoic acid

4-chloro-3-sulfamoylbenzoic acid methyl ester

Downstream raw materials:

2-chloro-5-(5-cyclohexylamino-[1,3,4]thiadiazol-2-yl)-benzenesulfonamide

Refernces

• 1、 Banik, Subrata,Kavitha, Ch.,Naidu, Nuthalapati Venkatasubba,Narendra, K.,Poojith, Nuthalapati,Potla, Krishna Murthy,Ratnakar, A.,Sampath, C.,Suchetan, P. A.. "An analysis of structural, spectroscopic signatures, reactivity and anti-bacterial study of synthetized 4-chloro-3-sulfamoylbenzoic acid". . . Retrieved 2020.
• 2、 -. "SYNTHETIC ANALOGUES OF XANTHOHUMOL". . . Retrieved 2014/10/29.