Sodium 4-Aminoazobenzene-4'-sulfonate - ≥98%(HPLC) , CAS No.2491-71-6

CAS: 2491-71-6 Cat. No.: S161279 Molecular Weight: 299.28 EC Number: 219-657-1 PubChem CID: 23691997

GRADE & PURITY ≥98%(HPLC)

Synonyms

p-(p-Aminophenyl)azobenzenesulfonic acid, sodium salt | Yellow R.I.S. | Sodium p-(p-aminophenylazo)benzenesulfonate | Sodium 4'-aminoazobenzene-4-sulfonate | Sodium 4-Aminoazobenzene-4'-sulfonate | Sodium 4'-aminoazobenzene-4-sulphonate | 4-AMINOAZOBENZEN

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

p-(p-Aminophenyl)azobenzenesulfonic acid, sodium salt | Yellow R.I.S. | Sodium p-(p-aminophenylazo)benzenesulfonate | Sodium 4'-aminoazobenzene-4-sulfonate | Sodium 4-Aminoazobenzene-4'-sulfonate | Sodium 4'-aminoazobenzene-4-sulphonate | 4-AMINOAZOBENZEN

Specifications & Purity

≥98%(HPLC)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 488200557
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488200557
• Canonical Smiles: C1=CC(=CC=C1N)N=NC2=CC=C(C=C2)S(=O)(=O)[O-].[Na+]
• IUPAC Name: sodium;4-[(4-aminophenyl)diazenyl]benzenesulfonate
• InChIKey: FIXVWFINKCQNFG-UHFFFAOYSA-M
• INCHI: 1S/C12H11N3O3S.Na/c13-9-1-3-10(4-2-9)14-15-11-5-7-12(8-6-11)19(16,17)18;/h1-8H,13H2,(H,16,17,18);/q;+1/p-1
• Isomeric SMILES: C1=CC(=CC=C1N)N=NC2=CC=C(C=C2)S(=O)(=O)[O-].[Na+]
• PubChem CID: 23691997
• Molecular Weight: 299.28
• Reaxy-Rn: 8954715

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: Benzenesulfonic acids and derivatives Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Aniline and substituted anilines Sulfonyls Organosulfonic acids Azo compounds Propargyl-type 1,3-dipolar organic compounds Primary amines Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Azobenzene - Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Aniline or substituted anilines - Monocyclic benzene moiety - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Azo compound - Organic alkali metal salt - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Amine - Organic zwitterion - Organic salt - Organic sodium salt - Hydrocarbon derivative - Primary amine - Organosulfur compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - 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

• Sensitivity: air sensitive
• Molecular Weight: 299.280 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 299.034 Da
• Monoisotopic Mass: 299.034 Da
• Topological Polar Surface Area: 116.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 408.000
• 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. Qi Chen, Xiaorong Li, Yuan Xie, Weicheng Hu, Zhipeng Cheng, Hui Zhong, Hongjun Zhu.  (2021)  Azo modified hyaluronic acid based nanocapsules: CD44 targeted, UV-responsive decomposition and drug release in liver cancer cells.  CARBOHYDRATE POLYMERS,      [PMID:34119127] [10.1016/j.carbpol.2021.118152]