4-Aminoazobenzene Hydrochloride - ≥98%(T) , CAS No.3457-98-5

CAS: 3457-98-5 Cat. No.: A151403 Molecular Weight: 233.7 EC Number: 222-390-3

GRADE & PURITY ≥98%(T)

Synonyms

AS-64031 | p-Aminoazobenzene hydrochloride | SCHEMBL2382817 | W-106726 | 4-(Phenylazo)aniline Hydrochloride | A0771 | p-Aminoazobenzene HCl | 4-phenylazoaniline;hydrochloride | (E)-4-Aminoazobenzene hydrochloride | MFCD00012994 | p-Aminoazobenzolhydrochlo

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

AS-64031 | p-Aminoazobenzene hydrochloride | SCHEMBL2382817 | W-106726 | 4-(Phenylazo)aniline Hydrochloride | A0771 | p-Aminoazobenzene HCl | 4-phenylazoaniline;hydrochloride | (E)-4-Aminoazobenzene hydrochloride | MFCD00012994 | p-Aminoazobenzolhydrochlo

Specifications & Purity

≥98%(T)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(T)

Names and Identifiers

• Pubchem Sid: 488197939
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488197939
• Canonical Smiles: C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N.Cl
• IUPAC Name: 4-phenyldiazenylaniline;hydrochloride
• InChIKey: WMNTYZIRLUBHEE-UHFFFAOYSA-N
• INCHI: 1S/C12H11N3.ClH/c13-10-6-8-12(9-7-10)15-14-11-4-2-1-3-5-11;/h1-9H,13H2;1H
• Isomeric SMILES: C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N.Cl
• Molecular Weight: 233.7
• Reaxy-Rn: 3915389
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3915389&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azobenzenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azobenzenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Azobenzenes
• Alternative Parents: Aniline and substituted anilines Azo compounds Propargyl-type 1,3-dipolar organic compounds Organic chloride salts Hydrocarbon derivatives Amines Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Azobenzene - Aniline or substituted anilines - Benzenoid - Monocyclic benzene moiety - Azo compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic chloride salt - Organic salt - Organonitrogen compound - Amine - Organic cation - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as azobenzenes. These are organonitrogen aromatic compounds that contain a central azo group, where each nitrogen atom is conjugated to a benzene ring.
• 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

• Melt Point(°C): 213 °C
• Molecular Weight: 233.690 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 233.072 Da
• Monoisotopic Mass: 233.072 Da
• Topological Polar Surface Area: 50.700 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 201.000
• 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. Ziqiu Ren, Hanwen Zhang, Xinqi Lu, Xiyue Wang, Xinyu Yuan, Yanlin Song, Na Wang.  (2025)  Photoisomerizing Molecular Modification on the Buried Interface of Perovskite Solar Cells.  ADVANCED FUNCTIONAL MATERIALS,      [PMID:] [10.1002/adfm.202501773]

2. Xia Li, Ying Liu, Liangdan Chen, Long Su, Fei Lu, Hui Gu, Xinpei Gao.  (2025)  Interfacial Engineering of Porous Poly(p-Aminoazobenzene) toward Stable Zn Anodes.  Batteries & Supercaps,      [PMID:] [10.1002/batt.202500697]