4-Sulfanilamidobenzoic acid

Base Information

• Chemical Name: 4-Sulfanilamidobenzoic acid
• CAS No.: 6336-70-5
• Molecular Formula: C13H12 N2 O4 S
• Molecular Weight: 292.315
• Hs Code.: 2935009090
• European Community (EC) Number: 228-720-2
• NSC Number: 39345
• UNII: N6R6Y6V2G7
• DSSTox Substance ID: DTXSID90212756
• Nikkaji Number: J206.935K
• Wikidata: Q27124036
• Metabolomics Workbench ID: 58600
• Mol file: 6336-70-5.mol

Synonyms:4-sulfanilamidobenzoic acid

Chemical Property of 4-Sulfanilamidobenzoic acid

Chemical Property:

• Vapor Pressure: 6.11E-13mmHg at 25°C
• Boiling Point: 550.2°C at 760 mmHg
• Flash Point: 286.6°C
• PSA: 117.87000
• Density: 1.511g/cm³
• LogP: 3.50280
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 292.05177804
• Heavy Atom Count: 20
• Complexity: 430

Purity/Quality:

99% ^*data from raw suppliers

4-[(4-AMINOPHENYL)SULFONYLAMINO]BENZOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)N
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Technology Process of 4-Sulfanilamidobenzoic acid

There total 11 articles about 4-Sulfanilamidobenzoic 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: 52.0%

4-(4-acetamidophenylsulfonamido)benzoic acid (72236-24-9) → 4-(4-aminobenzenesulfonylamino)benzoic acid (6336-70-5)

Guidance literature:

With hydrogenchloride; for 0.5h; Heating; further reaction, temperature;

DOI:10.1002/jps.2600720116

Reference yield:

4-amino-benzoic acid (150-13-0,159246-81-8,8014-65-1) → 4-(4-aminobenzenesulfonylamino)benzoic acid (6336-70-5)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine / 90 °C

2: 0.4445 g / aq. NaOH / Heating

With pyridine; sodium hydroxide;

DOI:10.1021/jf060868u

Reference yield:

p-acetylaminobenzenesulfonyl chloride (121-60-8) → 4-(4-aminobenzenesulfonylamino)benzoic acid (6336-70-5)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. NaOH / 0.25 h

2: 52 percent / dilute HCl / 0.5 h / Heating; further reaction, temperature

With hydrogenchloride; In sodium hydroxide;

DOI:10.1002/jps.2600720116

upstream raw materials:

4-acetylamino-N-(4-methylphenyl)benzenesulfonamide

4-((4-bromophenyl)sulfonamido)benzoic acid

4-(4-acetamidophenylsulfonamido)benzoic acid

4-acetylamino-N-(4-[1,3,4]oxadiazol-2-yl-phenyl)-benzenesulfonamide

Downstream raw materials:

4-(4-iodo-benzenesulfonylamino)-benzoic acid

4-[4-(1,4-Dioxo-1,4-dihydro-naphthalen-2-ylamino)-benzenesulfonylamino]-benzoic acid

4-sulfanilylamino-benzoic acid amide

3-[(N-acetyl-sulfanilyl)-amino]-benzoic acid amide