4,4'-Biphenyldithiol - ≥98%(HPLC) , CAS No.6954-27-4

CAS: 6954-27-4 Cat. No.: B152760 Fórmula: C₁₂H₁₀S₂ Peso molecular: 218.33 Beilstein Registry Number: 6(4)6655 Número CE: 230-136-8

GRADE & PURITY ≥98%(HPLC)

Synonyms

Q27116019 | EINECS 230-136-8 | 4,4'-Biphenyldithiol | biphenyl-4,4'-dithiol | NSC38039 | NSC-38039 | 4,4'-Biphenylldithiol | (1,1'-Biphenyl)-4,4'-dithiol | B2285 | VRPKUXAKHIINGG-UHFFFAOYSA-N | 4,4'-Thiobiphenyl | DTXSID60219797 | Biphenyl-4,4'-dithiol, 9

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

Q27116019 | EINECS 230-136-8 | 4,4'-Biphenyldithiol | biphenyl-4,4'-dithiol | NSC38039 | NSC-38039 | 4,4'-Biphenylldithiol | (1,1'-Biphenyl)-4,4'-dithiol | B2285 | VRPKUXAKHIINGG-UHFFFAOYSA-N | 4,4'-Thiobiphenyl | DTXSID60219797 | Biphenyl-4,4'-dithiol, 9

Especificações e pureza

≥98%(HPLC)

Condições de armazenamento de armazenamento

Store at -20°C,Argon charged

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%(HPLC)

Nomes e identificadores

• Pubchem Sid: 488185959
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185959
• Sorrisos canónicos: C1=CC(=CC=C1C2=CC=C(C=C2)S)S
• IUPAC Name: 4-(4-sulfanylphenyl)benzenethiol
• InChIKey: VRPKUXAKHIINGG-UHFFFAOYSA-N
• INCHI: 1S/C12H10S2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8,13-14H
• SMILES isoméricas: C1=CC(=CC=C1C2=CC=C(C=C2)S)S
• WGK Alemanha: 3
• Peso molecular: 218.33
• Beilstein: 6(4)6655
• Reaxy-Rn: 2086977
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2086977&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Thiophenols Thiols Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenyl - Thiophenol - Arylthiol - Hydrocarbon derivative - Organosulfur compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
• External Descriptors: dithiol - biphenyls

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

Propriedades químicas e físicas

• Sensibilidade: Air Sensitive
• Ponto de fusão (°C): 183 °C
• Peso molecular: 218.300 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 218.022 Da
• Monoisotopic Mass: 218.022 Da
• Topological Polar Surface Area: 2.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 145.000
• 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

Referências

1. Yijie Yang, Shun Yao, Ying Li, Yuanhang Wu, Chang Li, Congshu Hang, Hui Li.  (2025)  Orientation growth modulation of Mo-Doped Ni3S2 heterostructures utilizing Polysulfide as a sulfur source and in-situ intercalation for enhanced electrocatalytic performance.  Journal of Environmental Chemical Engineering,      [PMID:] [10.1016/j.jece.2025.118946]