Zincon - AR , CAS No.135-52-4

CAS: 135-52-4 Cat. No.: Z302469 Molecular Weight: 440.44 EC Number: 205-197-9 PubChem CID: 67268

GRADE & PURITY AR

Synonyms

Zincon (sodium salt) | 2-((Z)-2-(((E)-(2-hydroxy-5-sulfophenyl)diazenyl)(phenyl)methylene)hydrazinyl)benzoic acid | 2-[[N-(2-hydroxy-5-sulfoanilino)-C-phenylcarbonimidoyl]diazenyl]benzoic acid | Q27265998 | 1-(2-hydroxycarbonylphenyl)-5-(2-hydroxy-5-sulfo

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Zincon (sodium salt) | 2-((Z)-2-(((E)-(2-hydroxy-5-sulfophenyl)diazenyl)(phenyl)methylene)hydrazinyl)benzoic acid | 2-[[N-(2-hydroxy-5-sulfoanilino)-C-phenylcarbonimidoyl]diazenyl]benzoic acid | Q27265998 | 1-(2-hydroxycarbonylphenyl)-5-(2-hydroxy-5-sulfo

Specifications & Purity

AR

Storage

Room temperature

Shipped In

Normal

Grade

AR

Names and Identifiers

• Pubchem Sid: 488183914
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183914
• Canonical Smiles: C1=CC=C(C=C1)C(=NNC2=C(C=CC(=C2)S(=O)(=O)O)O)N=NC3=CC=CC=C3C(=O)O
• IUPAC Name: 2-[[N-(2-hydroxy-5-sulfoanilino)-C-phenylcarbonimidoyl]diazenyl]benzoic acid
• InChIKey: OWQUYBAASOSGNO-UHFFFAOYSA-N
• INCHI: 1S/C20H16N4O6S/c25-18-11-10-14(31(28,29)30)12-17(18)22-24-19(13-6-2-1-3-7-13)23-21-16-9-5-4-8-15(16)20(26)27/h1-12,22,25H,(H,26,27)(H,28,29,30)
• Isomeric SMILES: C1=CC=C(C=C1)C(=NNC2=C(C=CC(=C2)S(=O)(=O)O)O)N=NC3=CC=CC=C3C(=O)O
• PubChem CID: 67268
• Molecular Weight: 440.44

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: Benzoic acids Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Phenylhydrazines Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Sulfonyls Organosulfonic acids Formazans Azo compounds Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Hydrazones Carboxylic acids Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonate - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Benzoic acid - Benzoic acid or derivatives - Arylsulfonic acid or derivatives - Phenylhydrazine - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Formazan - Azo compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Hydrazone - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen 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

• Melt Point(°C): 203ºC
• Molecular Weight: 440.400 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 7
• Exact Mass: 440.079 Da
• Monoisotopic Mass: 440.079 Da
• Topological Polar Surface Area: 169.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 775.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 1
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

References

1. Wang You, Huo Danqun, Wu Huixiang, Li Jaiwei, Zhang Qinghai, Deng Bo, Zhou Jing, Yang Mei, Hou Changjun.  (2019)  A visual sensor array based on an indicator displacement assay for the detection of carboxylic acids.  MICROCHIMICA ACTA,  186  (8): (1-12).  [PMID:31270596] [10.1007/s00604-019-3601-8]

2. Zhiyong Song, Yang Wu, Qi Cao, Huajuan Wang, Xiangru Wang, Heyou Han.  (2018)  pH-Responsive, Light-Triggered on-Demand Antibiotic Release from Functional Metal–Organic Framework for Bacterial Infection Combination Therapy.  ADVANCED FUNCTIONAL MATERIALS,  28  (23): (1800011).  [PMID:] [10.1002/adfm.201800011]

3. Xiaohui Jia, Yuhe Dong, Jihui Lu, Zhenyuan Yang, Ran Xu, Xiang Zhang, Jingyi Jiao, Zixuan Zhang, Yixuan Lin, Fuhao Chu, Penglong Wang, Tian Zhong, Haimin Lei.  (2025)  A self-assembly enzyme-like hydrogel with ROS scavenging and immunomodulatory capability for microenvironment-responsive wound healing acceleration.  INTERNATIONAL JOURNAL OF PHARMACEUTICS,      [PMID:40158760] [10.1016/j.ijpharm.2025.125529]

4. Ding Jiaxin, Gao Binbin, Sang Zelin, Dai Zhen, Chen Zhenhua, Mei Xifan.  (2025)  Promoting spinal cord injury repair by using ZnO@MOFs nanozymes functionalized hydrogel through the ROS microenvironment regulating pathway.  Regenerative Biomaterials,      [PMID:41190134] [10.1093/rb/rbaf095]