4,4'-Diaminodiphenylamine Sulfate Hydrate - ≥97%(T) , CAS No.53760-27-3

CAS: 53760-27-3 Cat. No.: D154677 Molecular Weight: 297.33 Beilstein Registry Number: 13110 EC Number: 258-748-0

GRADE & PURITY ≥97%(T)

Synonyms

1,4-Benzenediamine, N-(4-aminophenyl)-, sulfate (1:1) | 02X5LJD26T | C12H15N3O4S | N11907 | 4,4'-Diaminodiphenylamine Sulfate, Hydrate | A829763 | P,P'-DIAMINODIPHENYLAMINE SULFATE | Q-200352 | 4,4'-DIAMINO DIPHENYLAMINE SULFATE | DTXSID50202037 | SCHEMBL

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

1, 4-Benzenediamine, N-(4-aminophenyl)-, sulfate (1:1) | 02X5LJD26T | C12H15N3O4S | N11907 | 4, 4'-Diaminodiphenylamine Sulfate, Hydrate | A829763 | P, P'-DIAMINODIPHENYLAMINE SULFATE | Q-200352 | 4, 4'-DIAMINO DIPHENYLAMINE SULFATE | DTXSID50202037 | SCHEMBL

Specifications & Purity

≥97%(T)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%(T)

Names and Identifiers

• Pubchem Sid: 504756578
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756578
• Canonical Smiles: C1=CC(=CC=C1N)NC2=CC=C(C=C2)N.OS(=O)(=O)O
• IUPAC Name: 4-N-(4-aminophenyl)benzene-1,4-diamine;sulfuric acid
• InChIKey: OOZQLPDAELLDNY-UHFFFAOYSA-N
• INCHI: 1S/C12H13N3.H2O4S/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12;1-5(2,3)4/h1-8,15H,13-14H2;(H2,1,2,3,4)
• Isomeric SMILES: C1=CC(=CC=C1N)NC2=CC=C(C=C2)N.OS(=O)(=O)O
• Alternate CAS: 537-65-5
• Molecular Weight: 297.33
• Beilstein: 13110
• Reaxy-Rn: 3922166
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3922166&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Aniline and substituted anilines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aniline and substituted anilines
• Alternative Parents: Organic sulfuric acids Secondary amines Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Sulfuric acid - Organic sulfuric acid or derivatives - Secondary amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Moisture and air sensitive
• Melt Point(°C): 300 °C
• Molecular Weight: 297.330 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 297.078 Da
• Monoisotopic Mass: 297.078 Da
• Topological Polar Surface Area: 147.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 241.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

References

1. Mohammed Jalalah, Zubair Nabi, Muhammad Naveed Anjum, Mirza Nadeem Ahmad, Atta Ul Haq, Muhammad Bilal Qadir, Mohd Faisal, Mabkhoot Alsaiari, Muhammad Irfan, Farid A. Harraz.  (2023)  Facile Synthesis of Poly(o-anisidine)/Graphitic Carbon Nitride/Zinc Oxide Composite for Photo-Catalytic Degradation of Congo Red Dye.  Catalysts,  13  (2): (239).  [PMID:] [10.3390/catal13020239]

2. Ali S. Alkorbi, Nouman Gill, Muhammad Naveed Anjum, Muhammad Jawwad Saif, Mirza Nadeem Ahmad, Muhammad Bilal Qadir, Zubair Khaliq, Mohd Faisal, Mohammed Jalalah, Farid A. Harraz.  (2024)  Green ternary composite of graphitic carbon nitride/TiO2/ polyorthoanisidine for the enhanced photocatalytic treatment of Direct Red 28 for industrial water treatment solutions.  Frontiers in Chemistry,      [PMID:39398193] [10.3389/fchem.2024.1411980]

3. Jie Chen, Wen Zeng, Huiyao Huang, Xiaoyu Lou, Song Chen, Changshen Ye, Zhixian Huang, Ting Qiu.  (2025)  Tunable porosity and Hg (II) adsorption performance in dual heteroatom functionalized conjugated micro-mesoporous poly(aniline)s.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2025.131997]