Cas no 80-20-6 (3-Amino-4-hydroxy-N-phenylbenzenesulfonamide)

3-Amino-4-hydroxy-N-phenylbenzenesulfonamide structure
80-20-6 structure
Product Name:3-Amino-4-hydroxy-N-phenylbenzenesulfonamide
CAS No:80-20-6
MF:C12H12N2O3S
MW:264.300281524658
CID:34205
PubChem ID:66453
Update Time:2024-10-27

3-Amino-4-hydroxy-N-phenylbenzenesulfonamide Chemical and Physical Properties

Names and Identifiers

    • 3-Amino-4-hydroxy-N-phenylbenzenesulfonamide
    • 2-AMINOPHENOL-4-SULFONANILIDE
    • 2-amin
    • 2-amino-1-hydroxybenzene-4-sulphonic acid-N-phenylamide
    • 2-amino-4-benzenesulfonamidophenol
    • 2-Amino-phenol-sulfonsaeure-(4)-anilid
    • 3-Amino-4-hydroxybenzenesulfonanilide
    • 3-amino-4-hydroxy-benzenesulfonic acid anilide
    • 3-Amino-4-hydroxy-benzolsulfonsaeure-anilid
    • 4-Hydroxymetanilanilide
    • AC1L25EL
    • Benzenesulfonamide, 3-amino-4-hydroxy-N-phenyl-
    • Metanilanilide, 4-hydroxy-
    • NSC315543
    • SureCN8918680
    • 1-Phenol-4-sulfonanilide,2-amino- (6CI)
    • Metanilanilide, 4-hydroxy- (7CI,8CI)
    • NSC 315543
    • 1-PHENOL-4-SULFONANILIDE, 2-AMINO-
    • NSC-315543
    • W-104244
    • DTXSID8058829
    • AKOS005858011
    • 80-20-6
    • 3-Amino-4-hydroxy-N-phenylbenzenesulphonamide
    • UNII-IOF34R1G66
    • IOF34R1G66
    • SCHEMBL8918680
    • EC 201-258-9
    • AI3-62996
    • EINECS 201-258-9
    • Q27280824
    • NS00003197
    • 1-Phenol-4-sulfonanilide, 2-amino- (6CI)
    • 3-Amino-4-hydroxy-N-phenylbenzenesulfonamide (ACI)
    • Metanilanilide, 4-hydroxy- (7CI, 8CI)
    • 3-Amino-4-hydroxy-N-phenylbenzene-1-sulfonamide
    • DTXCID8048159
    • Metanilanilide, 4-hydroxy-(8CI)
    • IAOZVUUQCPRLOI-UHFFFAOYSA-N
    • Inchi： 1S/C12H12N2O3S/c13-11-8-10(6-7-12(11)15)18(16,17)14-9-4-2-1-3-5-9/h1-8,14-15H,13H2
    • InChI Key： IAOZVUUQCPRLOI-UHFFFAOYSA-N
    • SMILES： O=S(C1C=C(N)C(O)=CC=1)(NC1C=CC=CC=1)=O

Computed Properties

  • Exact Mass: 188.02564
  • Monoisotopic Mass: 264.056863
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 3
  • Complexity: 360
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 101
  • Surface Charge: 0
  • Tautomer Count: 5
  • XLogP3: 1.4

Experimental Properties

  • Density: 1.474
  • Boiling Point: 485.6 °C at 760 mmHg
  • Flash Point: 247.5 °C
  • Refractive Index: 1.667
  • PSA: 106.41
  • LogP: 3.51020

3-Amino-4-hydroxy-N-phenylbenzenesulfonamide Pricemore >>

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3-Amino-4-hydroxy-N-phenylbenzenesulfonamide Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Sodium hydroxide Solvents: Water ;  rt; rt → reflux
1.2 Reagents: Sodium dithionite Solvents: Water ;  reflux; 2 h, reflux; reflux → rt
1.3 Reagents: Hydrochloric acid Solvents: Water ;  pH 7, rt
Reference
Synthesis of derivatives of 2-(2-hydroxyphenyl)-2H-benzotriazole-4-carboxylic acid containing sulfonamide group in phenyl moiety
Vasin, V. S.; et al, Izvestiya Vysshikh Uchebnykh Zavedenii, 2012, 55(10), 19-22

Production Method 2

Reaction Conditions
1.1 Reagents: Sodium hydroxide Solvents: Water ;  2 h, reflux; reflux → rt
1.2 Reagents: Hydrochloric acid Solvents: Water ;  pH 5, rt
2.1 Reagents: Sodium hydroxide Solvents: Water ;  rt; rt → reflux
2.2 Reagents: Sodium dithionite Solvents: Water ;  reflux; 2 h, reflux; reflux → rt
2.3 Reagents: Hydrochloric acid Solvents: Water ;  pH 7, rt
Reference
Synthesis of derivatives of 2-(2-hydroxyphenyl)-2H-benzotriazole-4-carboxylic acid containing sulfonamide group in phenyl moiety
Vasin, V. S.; et al, Izvestiya Vysshikh Uchebnykh Zavedenii, 2012, 55(10), 19-22

Production Method 3

Reaction Conditions
1.1 Reagents: Sodium carbonate Solvents: Water ;  pH 7, rt
2.1 Reagents: Phosphorus oxychloride ,  Phosphorus pentachloride ;  10 h, reflux
3.1 Solvents: Ethanol ;  2 h, reflux; reflux → rt
3.2 Reagents: Hydrochloric acid Solvents: Water ;  rt
4.1 Reagents: Sodium hydroxide Solvents: Water ;  2 h, reflux; reflux → rt
4.2 Reagents: Hydrochloric acid Solvents: Water ;  pH 5, rt
5.1 Reagents: Sodium hydroxide Solvents: Water ;  rt; rt → reflux
5.2 Reagents: Sodium dithionite Solvents: Water ;  reflux; 2 h, reflux; reflux → rt
5.3 Reagents: Hydrochloric acid Solvents: Water ;  pH 7, rt
Reference
Synthesis of derivatives of 2-(2-hydroxyphenyl)-2H-benzotriazole-4-carboxylic acid containing sulfonamide group in phenyl moiety
Vasin, V. S.; et al, Izvestiya Vysshikh Uchebnykh Zavedenii, 2012, 55(10), 19-22

Production Method 4

Reaction Conditions
1.1 Catalysts: Acetic acid
Reference
Preparation of 3-amino-4-hydroxy-N-phenylbenzenesulfonamide
, Czechoslovakia, , ,

Production Method 5

Reaction Conditions
1.1 Catalysts: Sodium acetate
2.1 Catalysts: Acetic acid
Reference
Preparation of 3-amino-4-hydroxy-N-phenylbenzenesulfonamide
, Czechoslovakia, , ,

Production Method 6

Reaction Conditions
1.1 Solvents: Ethanol ;  2 h, reflux; reflux → rt
1.2 Reagents: Hydrochloric acid Solvents: Water ;  rt
2.1 Reagents: Sodium hydroxide Solvents: Water ;  2 h, reflux; reflux → rt
2.2 Reagents: Hydrochloric acid Solvents: Water ;  pH 5, rt
3.1 Reagents: Sodium hydroxide Solvents: Water ;  rt; rt → reflux
3.2 Reagents: Sodium dithionite Solvents: Water ;  reflux; 2 h, reflux; reflux → rt
3.3 Reagents: Hydrochloric acid Solvents: Water ;  pH 7, rt
Reference
Synthesis of derivatives of 2-(2-hydroxyphenyl)-2H-benzotriazole-4-carboxylic acid containing sulfonamide group in phenyl moiety
Vasin, V. S.; et al, Izvestiya Vysshikh Uchebnykh Zavedenii, 2012, 55(10), 19-22

Production Method 7

Reaction Conditions
1.1 Reagents: Phosphorus oxychloride ,  Phosphorus pentachloride ;  10 h, reflux
2.1 Solvents: Ethanol ;  2 h, reflux; reflux → rt
2.2 Reagents: Hydrochloric acid Solvents: Water ;  rt
3.1 Reagents: Sodium hydroxide Solvents: Water ;  2 h, reflux; reflux → rt
3.2 Reagents: Hydrochloric acid Solvents: Water ;  pH 5, rt
4.1 Reagents: Sodium hydroxide Solvents: Water ;  rt; rt → reflux
4.2 Reagents: Sodium dithionite Solvents: Water ;  reflux; 2 h, reflux; reflux → rt
4.3 Reagents: Hydrochloric acid Solvents: Water ;  pH 7, rt
Reference
Synthesis of derivatives of 2-(2-hydroxyphenyl)-2H-benzotriazole-4-carboxylic acid containing sulfonamide group in phenyl moiety
Vasin, V. S.; et al, Izvestiya Vysshikh Uchebnykh Zavedenii, 2012, 55(10), 19-22

3-Amino-4-hydroxy-N-phenylbenzenesulfonamide Raw materials

3-Amino-4-hydroxy-N-phenylbenzenesulfonamide Preparation Products

3-Amino-4-hydroxy-N-phenylbenzenesulfonamide Related Literature

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