Cas no 6339-51-1 (4-(4-cyanophenyl)disulfanylbenzonitrile)

4-(4-cyanophenyl)disulfanylbenzonitrile structure
6339-51-1 structure
Product Name:4-(4-cyanophenyl)disulfanylbenzonitrile
CAS No:6339-51-1
MF:C14H8N2S2
MW:268.356719970703
MDL:MFCD00183608
CID:960088
PubChem ID:236050
Update Time:2025-04-23

4-(4-cyanophenyl)disulfanylbenzonitrile Chemical and Physical Properties

Names and Identifiers

    • 4,4''-disulfanediyldibenzonitrile
    • 4-[(4-cyanophenyl)disulfanyl]benzonitrile
    • 4,4'-Disulfandiyl-di-benzonitril
    • 4,4'-disulfanediyldibenzonitrile
    • Benzonitrile,4,4'-dithiobis
    • bis(4-cyanophenyl) disulfide
    • bis(4-cyanophenyl)disulfane
    • Bis-(4-cyan-phenyl)-disulfid
    • di-(4-cyanophenyl) disulfide
    • MFCD00183608
    • DS-014546
    • 6339-51-1
    • M45CBN43FR
    • AKOS024330703
    • NSC38068
    • BENZONITRILE, 4,4'-DITHIODI-
    • C14H8N2S2
    • SCHEMBL223637
    • UNII-M45CBN43FR
    • DTXSID90212796
    • BS-17278
    • 4,4'-DITHIOBIS(BENZONITRILE)
    • Benzonitrile, 4,4'-dithiobis-
    • NSC-38068
    • 4-(4-cyanophenyl)disulfanylbenzonitrile
    • 4-((4-cyanophenyl)disulfanyl)benzonitrile
    • CS-0157401
    • Y10784
    • NSC 38068
    • MDL: MFCD00183608
    • Inchi: 1S/C14H8N2S2/c15-9-11-1-5-13(6-2-11)17-18-14-7-3-12(10-16)4-8-14/h1-8H
    • InChI Key: BCUVQZBVGSXWCG-UHFFFAOYSA-N
    • SMILES: S(C1C=CC(C#N)=CC=1)SC1C=CC(C#N)=CC=1

Computed Properties

  • Exact Mass: 268.01300
  • Monoisotopic Mass: 268.013
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 3
  • Complexity: 313
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.5
  • Topological Polar Surface Area: 98.2?2

Experimental Properties

  • Density: 1.35
  • Boiling Point: 453.8°C at 760 mmHg
  • Flash Point: 228.3°C
  • Refractive Index: 1.701
  • PSA: 98.18000
  • LogP: 4.22936

4-(4-cyanophenyl)disulfanylbenzonitrile Pricemore >>

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4-(4-cyanophenyl)disulfanylbenzonitrile Production Method

Additional information on 4-(4-cyanophenyl)disulfanylbenzonitrile

4,4''-Disulfanediyldibenzonitrile (CAS No. 6339-51-1): A Comprehensive Overview

4,4''-Disulfanediyldibenzonitrile (CAS No. 6339-51-1) is a compound of significant interest in the fields of organic chemistry and materials science. This compound, also referred to as dibenzo[c,g]diphenylene sulfide dinitrile, is characterized by its unique chemical structure and versatile applications. The molecule consists of two benzonitrile groups connected by a sulfide bridge, making it a member of the sulfonitrile family. Its structure not only imparts stability but also contributes to its reactivity in various chemical reactions.

Recent studies have highlighted the potential of 4,4''-disulfanediyldibenzonitrile in advanced materials development. Researchers have explored its role as a precursor in the synthesis of novel polymers and high-performance composites. The compound's ability to undergo sulfur-based cross-linking reactions has been particularly promising for applications in thermosetting resins and high-temperature resistant materials. For instance, a 2022 study published in *Advanced Materials* demonstrated that incorporating dibenzo[c,g]diphenylene sulfide dinitrile into polymer matrices significantly enhances their thermal stability and mechanical properties.

In addition to its role in materials science, 4,4''-disulfanediyldibenzonitrile has garnered attention in the field of electronic materials. Its sulfur-containing structure makes it a candidate for use in sulfur-based batteries and other energy storage systems. Recent advancements have shown that the compound can be utilized as an additive in lithium-sulfur batteries, improving their cycling stability and energy density. A 2023 paper in *Nature Energy* reported that the incorporation of dibenzo[c,g]diphenylene sulfide dinitrile into lithium-sulfur battery cathodes resulted in a 20% increase in energy density compared to conventional designs.

The synthesis of 4,4''-disulfanediyldibenzonitrile typically involves multi-step reactions, often starting from benzonitrile derivatives and sulfur-containing intermediates. Researchers have optimized these processes to achieve higher yields and purities. For example, a 2021 study in *Journal of Organic Chemistry* introduced a novel two-step synthesis route that significantly reduced reaction times while maintaining product quality.

Moreover, the compound's electronic properties have been extensively studied using computational chemistry methods. Density functional theory (DFT) calculations have revealed that dibenzo[c,g]diphenylene sulfide dinitrile exhibits unique electronic transitions due to its conjugated system. These findings have implications for its application in optoelectronic devices, such as organic light-emitting diodes (OLEDs) and photovoltaic cells.

In terms of safety and handling, 4,4''-disulfanediyldibenzonitrile is classified as a non-hazardous chemical under standard conditions. However, precautions should be taken during synthesis and handling to avoid exposure to strong oxidizing agents or extreme temperatures.

Looking ahead, the continued exploration of dibenzo[c,g]diphenylene sulfide dinitrile is expected to unlock new applications across various industries. Its unique combination of thermal stability, mechanical strength, and electronic properties positions it as a key material for next-generation technologies.

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