4-Chloro-3-nitro-5-sulphamoylbenzoic acid

Base Information

• Chemical Name: 4-Chloro-3-nitro-5-sulphamoylbenzoic acid
• CAS No.: 22892-96-2
• Molecular Formula: C7H5ClN2O6S
• Molecular Weight: 280.645
• Hs Code.: 2935009090
• European Community (EC) Number: 245-310-9
• UNII: 9NE2W7JJM3
• DSSTox Substance ID: DTXSID50177433
• Wikidata: Q72456171
• Mol file: 22892-96-2.mol

Synonyms:22892-96-2;4-chloro-3-nitro-5-sulfamoylbenzoic acid;4-Chloro-3-nitro-5-sulphamoylbenzoic acid;4-Chloro-3-nitro-5-sulfamoyl benzoic acid;Benzoic acid, 3-(aminosulfonyl)-4-chloro-5-nitro-;EINECS 245-310-9;2-chloro-3-nitro-5-carboxy-benzenesulphonamide;3-(aminosulfonyl)-4-chloro-5-nitrobenzoic acid;9NE2W7JJM3;3-nitro-4-chloro-5-sulfamoylbenzoic acid;4-Chloro-3-nitro-5-sulfamoyl-benzoic Acid;UNII-9NE2W7JJM3;SCHEMBL573259;DTXSID50177433;MFCD00058688;STK895088;AKOS000120788;AC-8119;LS-08691;LS-36036;4-Chloro-3-nitro-5--sulfamoylbenzoic acid;4-chloro-3-nitro-5-sulphamyl-benzoic acid;3-Nitro-4-Chloro-5-Sulfamoyl Benzoic Acid;CS-0450140;FT-0618084;4-chloro-3-nitro-5-aminosulfonylbenzoic acid;EN300-20855;A816404;W-107451;Z104483948;4-Chloro-3-nitro-5-sulfamoylbenzoic acid, technical, >=90% (S)

Chemical Property of 4-Chloro-3-nitro-5-sulphamoylbenzoic acid

Chemical Property:

• Vapor Pressure: 1.56E-13mmHg at 25°C
• Melting Point: 227-231 °C
• Refractive Index: 1.648
• Boiling Point: 563.5 °C at 760 mmHg
• PKA: 2.82±0.10(Predicted)
• Flash Point: 294.6 °C
• PSA: 151.66000
• Density: 1.814 g/cm³
• LogP: 2.89810
• Storage Temp.: -20°C Freezer
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 279.9556848
• Heavy Atom Count: 17
• Complexity: 427

Purity/Quality:

99.9% ^*data from raw suppliers

4-Chloro-3-nitro-5-sulfamoylbenzoicAcid ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])Cl)S(=O)(=O)N)C(=O)O
• Uses: Intermediate in the production of Bumetanide 4-Chloro-3-nitro-5-sulfamoylbenzoic acid has been used in preparation of 4-((2-(2-hydroxyphenyl)quinolin-3-yl)methylamino)-3-nitro-5-sulfamoylbenzoic acid.

Technology Process of 4-Chloro-3-nitro-5-sulphamoylbenzoic acid

There total 1 articles about 4-Chloro-3-nitro-5-sulphamoylbenzoic 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:

→ 4-chloro-3-nitro-5-sulfamoylbenzoic acid (22892-96-2)

Guidance literature:

entspr. Sulfonsaeure, NH3;

Reference yield: 91.0%

2-(3-Fluorophenyl)ethylamine (404-70-6) + 4-chloro-3-nitro-5-sulfamoylbenzoic acid (22892-96-2) → 4-{[2-(3-fluorophenyl)ethyl]amino}-3-nitro-5-sulfamoylbenzoic acid (1415960-91-6)

Guidance literature:

2-(3-Fluorophenyl)ethylamine; 4-chloro-3-nitro-5-sulfamoylbenzoic acid; In water; for 2.5h; Reflux;

With sodium hydroxide; In water; at 20 ℃; pH=Ca. 11;

With hydrogenchloride; In diethyl ether; water; pH=Ca. 2;

DOI:10.1002/cbdv.201200322

Reference yield: 87.0%

4-Methoxyphenethylamine (55-81-2) + 4-chloro-3-nitro-5-sulfamoylbenzoic acid (22892-96-2) → 4-{[2-(4-methoxyphenyl)ethyl]amino}-3-nitro-5-sulfamoylbenzoic acid (1415960-88-1)

Guidance literature:

4-Methoxyphenethylamine; 4-chloro-3-nitro-5-sulfamoylbenzoic acid; In water; for 2.5h; Reflux;

With sodium hydroxide; In water; at 20 ℃; pH=Ca. 11;

With hydrogenchloride; In diethyl ether; water; pH=Ca. 2;

DOI:10.1002/cbdv.201200322

Downstream raw materials:

4-(p-hydroxyanilino)-3-nitro-5-sulphamyl-benzoic acid

4-(o-methoxyanilino)-3-nitro-5-sulphamyl-benzoic acid

3-nitro-5-sulphamyl-4-(m-trifluoromethylanilino)-benzoic acid

3-nitro-4-phenylsulphonyl-5-sulphamyl-benzoic acid