4-Hydroxy-3-nitrobenzenesulfonamide

Base Information

• Chemical Name: 4-Hydroxy-3-nitrobenzenesulfonamide
• CAS No.: 24855-58-1
• Molecular Formula: C6H6 N2 O5 S
• Molecular Weight: 218.19
• Hs Code.: 2935009090
• European Community (EC) Number: 246-499-0
• DSSTox Substance ID: DTXSID8067028
• Wikidata: Q81993606
• Pharos Ligand ID: VKY8KM3JQTMC
• ChEMBL ID: CHEMBL4281156
• Mol file: 24855-58-1.mol

Synonyms:4-Hydroxy-3-nitrobenzenesulfonamide;24855-58-1;Benzenesulfonamide, 4-hydroxy-3-nitro-;4-Hydroxy-3-nitrobenzenesulphonamide;4-hydroxy-3-nitrobenzene-1-sulfonamide;2-Nitro-4-sulfamide phenol;CHEMBL4281156;EINECS 246-499-0;SCHEMBL1959737;DTXSID8067028;BDBM50466767;GS1124;MFCD00129906;4-Hydroxy-3-nitrobenzenesulfonamide #;AKOS000141614;CS-0244225;EN300-27374;W-110603;Z45415625;F0728-0010

Chemical Property of 4-Hydroxy-3-nitrobenzenesulfonamide

Chemical Property:

• Vapor Pressure: 1.22E-07mmHg at 25°C
• Melting Point: 203-206.5 °C
• Boiling Point: 419.7°C at 760 mmHg
• PKA: 4.85±0.14(Predicted)
• Flash Point: 207.6°C
• PSA: 134.59000
• Density: 1.695g/cm³
• LogP: 2.25210
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 217.99974247
• Heavy Atom Count: 14
• Complexity: 316

Purity/Quality:

97% ^*data from raw suppliers

4-hydroxy3-nitrobenzenesulfonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=C(C=C1S(=O)(=O)N)[N+](=O)[O-])O

Technology Process of 4-Hydroxy-3-nitrobenzenesulfonamide

There total 9 articles about 4-Hydroxy-3-nitrobenzenesulfonamide 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: 98.0%

N,N-dimethylaminomethylene-4-hydroxy-3-nitrobenzenesulfonamide → 4-hydroxy-3-nitrobenzenesulfonamide (24855-58-1)

Guidance literature:

With hydrogenchloride; In methanol; water; at 90 ℃; for 6h;

DOI:10.1021/acs.jmedchem.8b01504

Reference yield:

4-hydroxybenzenesulphonamide (1576-43-8) → 4-hydroxy-3-nitrobenzenesulfonamide (24855-58-1)

Guidance literature:

With sulfuric acid; nitric acid;

DOI:10.1039/jr9390000608

Reference yield:

N'-((4-hydroxyphenyl)sulfonyl)-N,N-dimethylformimidamide → 4-hydroxy-3-nitrobenzenesulfonamide (24855-58-1)

Guidance literature:

Multi-step reaction with 2 steps

1: nitric acid; sulfuric acid / 4 h / 0 - 40 °C

2: hydrogenchloride / methanol; water / 6 h / 90 °C

With hydrogenchloride; sulfuric acid; nitric acid; In methanol; water;

DOI:10.1021/acs.jmedchem.8b01504

upstream raw materials:

4-hydroxybenzenesulphonamide

4-amino-3-nitrobenzenesulfonamide

4-acetylamino-3-nitro-benzenesulphonyl chloride

4-acetylamino-3-nitro-benzenesulfonic acid amide

Downstream raw materials:

3-amino-4-hydroxybenzenesulfonamide

4-Methoxy-3-mercapto-benzolsulfonsaeure-amid

4-Methoxy-3-methylmercapto-benzolsulfonsaeure-amid

6,6'-Dihydroxy-3,3'-disulfamoyl-diphenyl-disulfid