2,5-Diaminobenzenesulfonic acid - ≥98%(HPLC) , CAS No.88-45-9

CAS: 88-45-9 Cat. No.: D140176 Molecular Weight: 188.2 Beilstein Registry Number: 2970398 EC Number: 201-832-9

GRADE & PURITY ≥98%(HPLC)

Synonyms

Benzenesulfonic acid, 2,5-diamino- | p-Phenylenediaminesulfonic acid | AS-17668 | FT-0606930 | SCHEMBL115254 | 2,5-Diaminobenzene sulfonic acid | 4-14-00-02771 (Beilstein Handbook Reference) | YSWG1013 | DIAMINOBENZENESULFONIC ACID, 2,5- | 1,4-PHENYLENEDI

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

2,5-Diaminobenzenesulfonic acid is a dye precursor. Electrochemical copolymerization of 2,5-diaminobenzensulfonic acid and aniline by cyclic voltammetry on IrO2 coated titanium electrodes was reported.
It is used in preparation of a polymeric dye.

Specifications

Synonyms

Benzenesulfonic acid, 2, 5-diamino- | p-Phenylenediaminesulfonic acid | AS-17668 | FT-0606930 | SCHEMBL115254 | 2, 5-Diaminobenzene sulfonic acid | 4-14-00-02771 (Beilstein Handbook Reference) | YSWG1013 | DIAMINOBENZENESULFONIC ACID, 2, 5- | 1, 4-PHENYLENEDI

Specifications & Purity

≥98%(HPLC)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 504754080
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754080
• Canonical Smiles: C1=CC(=C(C=C1N)S(=O)(=O)O)N
• IUPAC Name: 2,5-diaminobenzenesulfonic acid
• InChIKey: HEAHMJLHQCESBZ-UHFFFAOYSA-N
• INCHI: 1S/C6H8N2O3S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3H,7-8H2,(H,9,10,11)
• Isomeric SMILES: C1=CC(=C(C=C1N)S(=O)(=O)O)N
• WGK Germany: 2
• RTECS: DB5900100
• Molecular Weight: 188.2
• Beilstein: 2970398
• Reaxy-Rn: 2970398
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2970398&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzenesulfonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzenesulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonic acids and derivatives
• Alternative Parents: Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Aniline and substituted anilines Sulfonyls Organosulfonic acids Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Aniline or substituted anilines - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Primary amine - Organosulfur compound - Organonitrogen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzenesulfonic acids and derivatives. These are organic compounds containing a sulfonic acid or a derivative thereof that is linked 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
• Melt Point(°C): 300°C
• Molecular Weight: 188.210 g/mol
• XLogP3: -1.000
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 188.026 Da
• Monoisotopic Mass: 188.026 Da
• Topological Polar Surface Area: 115.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 246.000
• 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: 1

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