4-Hydroxybenzenesulfonamide

Base Information

• Chemical Name: 4-Hydroxybenzenesulfonamide
• CAS No.: 1576-43-8
• Molecular Formula: C6H7 N O3 S
• Molecular Weight: 173.192
• Hs Code.: 2935009090
• European Community (EC) Number: 216-408-9
• NSC Number: 20848
• UNII: 1IIT7R7VPJ
• DSSTox Substance ID: DTXSID0061797
• Nikkaji Number: J206.815J
• Wikidata: Q27252462
• Pharos Ligand ID: YU1G41M49223
• ChEMBL ID: CHEMBL224292
• Mol file: 1576-43-8.mol

Synonyms:4-Hydroxybenzenesulfonamide;1576-43-8;p-Phenolsulfonamide;Benzenesulfonamide, 4-hydroxy-;p-Hydroxybenzenesulfonamide;4-Sulfamoylphenol;4-hydroxybenzenesulphonamide;Benzenesulfonamide, p-hydroxy-;4-hydroxybenzene-1-sulfonamide;4-Hydroxyphenylsulfonamide;p-Sulfamidophenol;p-Hydroxybenzenesulphonamide;UNII-1IIT7R7VPJ;1IIT7R7VPJ;4-oxidanylbenzenesulfonamide;EINECS 216-408-9;NSC 20848;NSC-20848;p-Hydroxybenz;NSC20848;p-hydroxybenzene sulfonamide;4-hydroxy-benzenesulphonamide;SCHEMBL283769;AMY326;CHEMBL224292;1-PHENOL-4-SULFONAMIDE;DTXSID0061797;BDBM81920;p-Hydroxy-benzene derivative, 3a;BAA57643;HYDROXYBENZENESULFONAMIDE, P-;MFCD00059190;AKOS008105109;CS-W017553;NCGC00336462-01;BP-10587;TS-00167;FT-0633679;H0328;EN300-36615;F17047;AB01206063-03;AJ-087/25124018;J-009431;Q27252462;Z360053740;K4N

Chemical Property of 4-Hydroxybenzenesulfonamide

Chemical Property:

• Vapor Pressure: 6.89E-07mmHg at 25°C
• Melting Point: 174oC
• Boiling Point: 397.5°C at 760 mmHg
• PKA: 7.81±0.15(Predicted)
• Flash Point: 194.2°C
• PSA: 88.77000
• Density: 1.482g/cm³
• LogP: 1.82070
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 173.01466426
• Heavy Atom Count: 11
• Complexity: 211

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Hydroxybenzenesulfonamide >97.0%(T) ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1O)S(=O)(=O)N

Technology Process of 4-Hydroxybenzenesulfonamide

There total 11 articles about 4-Hydroxybenzenesulfonamide 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: 84.0%

→ 4-hydroxybenzenesulphonamide (1576-43-8)

Guidance literature:

With oxalic acid; In fluorobenzene; at 80 ℃; for 0.5h; Microwave irradiation;

Reference yield: 80.0%

sulfanilamide (63-74-1) → 4-hydroxybenzenesulphonamide (1576-43-8)

Guidance literature:

With sulfuric acid; sodium nitrite; In water; Heating;

DOI:10.1002/jlcr.599

Reference yield:

C11H9NO4S2 → 4-hydroxybenzenesulphonamide (1576-43-8)

Guidance literature:

With lithium hydroxide; In tetrahydrofuran; methanol; at 40 ℃;

DOI:10.1002/anie.202108971

upstream raw materials:

sulfanilamide

4-(aminosulfonyl)-benzoic acid

Downstream raw materials:

4-(4-methyl-pyrimidin-2-yloxy)-benzenesulfonic acid amide

4-hydroxy-benzenesulfonic acid-(4-methyl-pyrimidin-2-ylamide)

4-(4,6-dimethyl-pyrimidin-2-yloxy)-benzenesulfonic acid amide

4-(2,6-dimethyl-pyrimidin-4-yloxy)-benzenesulfonic acid amide

Refernces

• 1、 -. "ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF". Paragraph 0588. . Retrieved 2019/03/17.
• 2、 Hanaya, Kengo,Yoshioka, Shohei,Ariyasu, Shinya,Aoki, Shin,Shoji, Mitsuru,Sugai, Takeshi. "Development of a novel sulfonate ester-based prodrug strategy". . p. 545 - 550. Retrieved 2016/01/09.