p-Hydrazinobenzenesulfonic Acid Hemihydrate - ≥98%(T) , CAS No.854689-07-9

CAS: 854689-07-9 Cat. No.: P160203 Molecular Weight: 188.2 EC Number: 639-341-0 PubChem CID: 66825

GRADE & PURITY ≥98%(T)

Synonyms

Hydrazinobenzenesulfonic acidhemihydrate | 3-15-00-00865 (Beilstein Handbook Reference) | Phenylhydrazine-4-sulfonic acid | Sulfanilic acid, N-amino- | AB00087113-03 | PHENYLHYDRAZINE-P-SULFOMNIC ACID | MFCD00025097 | F0266-1028 | NCGC00325751-01 | W-1000

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Hydrazinobenzenesulfonic acidhemihydrate | 3-15-00-00865 (Beilstein Handbook Reference) | Phenylhydrazine-4-sulfonic acid | Sulfanilic acid, N-amino- | AB00087113-03 | PHENYLHYDRAZINE-P-SULFOMNIC ACID | MFCD00025097 | F0266-1028 | NCGC00325751-01 | W-1000

Specifications & Purity

≥98%(T)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(T)

Names and Identifiers

• Pubchem Sid: 488183858
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183858
• Canonical Smiles: C1=CC(=CC=C1NN)S(=O)(=O)O
• IUPAC Name: 4-hydrazinylbenzenesulfonic acid
• InChIKey: IOMZCWUHFGMSEJ-UHFFFAOYSA-N
• INCHI: 1S/C6H8N2O3S/c7-8-5-1-3-6(4-2-5)12(9,10)11/h1-4,8H,7H2,(H,9,10,11)
• Isomeric SMILES: C1=CC(=CC=C1NN)S(=O)(=O)O
• RTECS: DB6900000
• PubChem CID: 66825
• Molecular Weight: 188.2
• Reaxy-Rn: 514779

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 Phenylhydrazines Sulfonyls Organosulfonic acids Organopnictogen compounds Organic oxides Hydrocarbon derivatives Hydrazines and derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonate - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Benzenesulfonyl group - Phenylhydrazine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Hydrazine derivative - Organic nitrogen compound - Organic oxygen compound - Organosulfur compound - Organonitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - 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

Associated Targets(Human)

PTPN2 Tchem T-cell protein-tyrosine phosphatase (1317 Activities)

Discover Target: PTPN2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PTPN6 Tchem Protein-tyrosine phosphatase 1C (687 Activities)

Discover Target: PTPN6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PTPN11 Tchem Protein-tyrosine phosphatase 2C (2297 Activities)

Discover Target: PTPN11

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solubility in Na2CO3 almost transparency
• Molecular Weight: 188.210 g/mol
• XLogP3: -2.400
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 188.026 Da
• Monoisotopic Mass: 188.026 Da
• Topological Polar Surface Area: 101.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 226.000
• 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

References

1. Yan Jia, Lili Xu, Lancheng Wang, Kun Yan, Jieru Chen, Pengcheng Xu, Bin Di, Fang Yan, Chi Hu.  (2023)  A light-up fluorescence probe for wash-free analysis of Mu-opioid receptor and ligand-binding events.  ANALYTICA CHIMICA ACTA,      [PMID:37147056] [10.1016/j.aca.2023.341220]

2. Liang Dongxin, Tuo Xiaoqian, Wang Qing, Zhao Lanbo, Zhang Kailu, Wang Yiran, Feng Xue, Yin Panyue, Guo Lin, Liu Yu, Wang Lei, Han Lu, An Ruifang, Li Qiling.  (2021)  Near-Infrared Fluorescent Agent for In Vitro Screening of Endometrial Cancer and Precancerous Lesions.  Frontiers in Oncology,      [PMID:34277456] [10.3389/fonc.2021.713583]

3. Yingying Zhang, Yanliang Zhao, Bo Song, Chaobo Huang.  (2021)  Spectroscopic behavior and intracellular application of a highly sensitive UV-fluorescence double ratio probe based on water-soluble indole for detection acid pH.  DYES AND PIGMENTS,      [PMID:] [10.1016/j.dyepig.2021.109205]

4. Qianqian Qi, Zhanyu Zhang, Dun Wang.  (2025)  GSH-responsive paclitaxel prodrug used in chemotherapy in combination with photodynamic therapy.  BIOORGANIC CHEMISTRY,      [PMID:40007348] [10.1016/j.bioorg.2025.108289]

5. Guo Kexin, Yang Xuehan, Zhou Chao, Li Chuang.  (2024)  Self-regulated reversal deformation and locomotion of structurally homogenous hydrogels subjected to constant light illumination.  Nature Communications,  15  (1): (1-12).  [PMID:38402204] [10.1038/s41467-024-46100-6]