2,2'-Benzidinedisulfonic Acid (contains 30% Water at maximum) - ≥70%(T) , CAS No.117-61-3

CAS: 117-61-3 Cat. No.: B152530 Peso molecular: 344.36 Número EC: 204-200-0

GRADE & PURITY ≥70%(T)

Synonyms

[1,1'-Biphenyl]-2,2'-disulfonic acid, 4,4'-diamino- | 2.2'-Benzidindisulfosaure | Benzidine-2,2'-disulfonic acid | 4,4'-Diamino-(1,1'-biphenyl)-2,2'-disulfonic acid | 6,6'-Bimetanilic acid | W-108561 | 2,2'-Benzidinedisulfonic acid | 4,2'-biphenyldisulfon

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

[1, 1'-Biphenyl]-2, 2'-disulfonic acid, 4, 4'-diamino- | 2.2'-Benzidindisulfosaure | Benzidine-2, 2'-disulfonic acid | 4, 4'-Diamino-(1, 1'-biphenyl)-2, 2'-disulfonic acid | 6, 6'-Bimetanilic acid | W-108561 | 2, 2'-Benzidinedisulfonic acid | 4, 2'-biphenyldisulfon

Especificaciones y pureza

≥70%(T)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥70%(T)

Nombres e identificadores

• Pubchem Sid: 488180755
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180755
• Sonrisas canónicas: C1=CC(=C(C=C1N)S(=O)(=O)O)C2=C(C=C(C=C2)N)S(=O)(=O)O
• IUPAC Name: 5-amino-2-(4-amino-2-sulfophenyl)benzenesulfonic acid
• InChIKey: MBJAPGAZEWPEFB-UHFFFAOYSA-N
• INCHI: 1S/C12H12N2O6S2/c13-7-1-3-9(11(5-7)21(15,16)17)10-4-2-8(14)6-12(10)22(18,19)20/h1-6H,13-14H2,(H,15,16,17)(H,18,19,20)
• Isómeros SMILES: C1=CC(=C(C=C1N)S(=O)(=O)O)C2=C(C=C(C=C2)N)S(=O)(=O)O
• RTECS: DV5230000
• Peso molecular: 344.36
• Reaxy-Rn: 2675524
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2675524&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzidines
• Alternative Parents: Benzenesulfonic acids and derivatives 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: Benzidine - Benzenesulfonate - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Benzenesulfonyl group - Aniline or substituted anilines - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Primary amine - Organosulfur compound - Organonitrogen compound - Amine - Organic oxide - Organopnictogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzidines. These are organic compounds containing the benzidine skeleton, made up of a biphenyl ring system substituted at the 4- and 4'-positions with a unsubstituted amine group.
• 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

Propiedades químicas y físicas

• Solubilidad: Insoluble in water.
• Peso molecular: 344.400 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 344.014 Da
• Monoisotopic Mass: 344.014 Da
• Topological Polar Surface Area: 178.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 540.000
• 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

Referencias

1. Zhuang Rao, Airong Zhang, Xiaoling Liu, Deyu Zhu, Guoqing Wang, Minqiu Lan, Zhengyun Wang, Lipei Jiang, Beibei Tang, Hongfang Liu.  (2023)  Construction of Surface Sulfonic and Amino Acid–Base Pair Modified Graphene Oxide for Effectively Promoting the Selectivity of the Proton Exchange Membrane.  ACS Applied Polymer Materials,      [PMID:] [10.1021/acsapm.3c01425]

2. Zhan Hao, Zhenyi Zhao, Hongyu Wu, Zhiyuan Zha, Xinxia Tian, Lixin Xie, Song Zhao.  (2023)  Sulfonated Reverse Osmosis Membrane with Simultaneous Mitigation of Silica Scaling and Organic Fouling.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,      [PMID:] [10.1021/acs.iecr.3c01519]

3. Lantian Li, Anran Li, Bing Zhao, Wei Kan, Chunyu Bi, Wang Zheng, Xiuwen Wang, Li Sun, Liyan Wang, Hongrui Zhang.  (2022)  Multi-sulfonated functionalized hydrophilic covalent organic framework for highly efficient dye removal from real samples.  NEW JOURNAL OF CHEMISTRY,  46  (35): (17016-17025).  [PMID:] [10.1039/D2NJ02857C]

4. Chunfang Zhang, Xuejian Si, Shuo Zhang, Bei Pei, Jin Gu, Yunxiang Bai.  (2018)  Porous metal–organic molecular cage: a promising candidate to highly improve the nanofiltration performance of thin film nanocomposite membranes.  NEW JOURNAL OF CHEMISTRY,  43  (4): (1699-1709).  [PMID:] [10.1039/C8NJ04603D]

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6. Zhigang Liu, Shihua Yu, Shuping Xu, Bing Zhao, Weiqing Xu.  (2017)  Ultrasensitive Detection of Capsaicin in Oil for Fast Identification of Illegal Cooking Oil by SERRS.  ACS Omega,      [PMID:31457378] [10.1021/acsomega.7b01457]

7. Jamal Afzal, Jiashun Zhang, Haijiang Wang.  (2024)  Fabrication of –SO3H-functionalized polyphosphazene-reinforced proton conductive matrix-mixed membranes.  RSC Advances,  14  (20): (14456-14464).  [PMID:38699689] [10.1039/D3RA07094H]

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9. Haipeng Li, Chunyang Fan, Lei Han, Hao Li, Xiaocui Wei, Yanan Liu, Yuhan Yang, Zhongyi Jiang.  (2024)  Polyelectrolyte-assisted fabrication of large-area 2D polymer nanosheet membranes with ultrafast proton conduction.  JOURNAL OF MEMBRANE SCIENCE,      [PMID:] [10.1016/j.memsci.2024.123621]

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