Cas no 118132-11-9 (1,2-Benzenedicarbonitrile,4,5-bis(octyloxy)-)

1,2-Benzenedicarbonitrile,4,5-bis(octyloxy)- is a specialized organic compound featuring a benzene core substituted with two cyano groups and two octyloxy chains. Its molecular structure imparts unique solubility and compatibility properties, making it suitable for applications in advanced material synthesis, particularly in liquid crystals or organic semiconductors. The extended octyloxy side chains enhance its solubility in nonpolar solvents, facilitating processing in thin-film deposition or polymer blending. The electron-withdrawing cyano groups contribute to its potential use in charge-transport materials or as an intermediate in fine chemical synthesis. This compound's balanced hydrophobic and electronic characteristics make it valuable for research in functional materials and optoelectronic applications.
1,2-Benzenedicarbonitrile,4,5-bis(octyloxy)- structure
118132-11-9 structure
Product Name:1,2-Benzenedicarbonitrile,4,5-bis(octyloxy)-
CAS No:118132-11-9
MF:C24H36N2O2
MW:384.554846763611
CID:132902
PubChem ID:24869579
Update Time:2025-05-24

1,2-Benzenedicarbonitrile,4,5-bis(octyloxy)- Chemical and Physical Properties

Names and Identifiers

    • 1,2-Benzenedicarbonitrile,4,5-bis(octyloxy)-
    • 4,5-bis(octyloxy)benzene-1,2-dicarbonitrile
    • 4,?5-?bis(octyloxy)?-1,?2-?Benzenedicarbonitril?e
    • 4,5-dioctoxybenzene-1,2-dicarbonitrile
    • 4,5-DIOCTYLOXYPHTHALONITRILE
    • 4,5-bis(octyloxy)-1,2-benzenedicarbonitrile
    • 4,5-DIOCTYLOXY-1,2-BENZENEDICARBONITRILE
    • 4,5-DIOCTYLOXY-1,2-BENZENEDICARBONITRILE 97%
    • 118132-11-9
    • 4,5-Bis(octyloxy)phthalonitrile
    • FT-0752768
    • SCHEMBL7608578
    • DTXSID90401628
    • 4,5-Dioctyloxy-1,2-benzenedicarbonitrile, 97%
    • 4,5-dioctoxyphthalonitrile
    • AKOS015889230
    • J-003708
    • DA-22087
    • MDL: MFCD00274338
    • Inchi: 1S/C24H36N2O2/c1-3-5-7-9-11-13-15-27-23-17-21(19-25)22(20-26)18-24(23)28-16-14-12-10-8-6-4-2/h17-18H,3-16H2,1-2H3
    • InChI Key: SSVVHLRGCJLWCP-UHFFFAOYSA-N
    • SMILES: O(C1C=C(C#N)C(C#N)=CC=1OCCCCCCCC)CCCCCCCC

Computed Properties

  • Exact Mass: 384.27788
  • Monoisotopic Mass: 384.278
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 16
  • Complexity: 432
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 8.1
  • Topological Polar Surface Area: 66A^2

Experimental Properties

  • Color/Form: Not determined
  • Density: 1
  • Melting Point: 106-108?°C (lit.)
  • Boiling Point: 529.3°C at 760 mmHg
  • Flash Point: 181.6°C
  • Refractive Index: 1.505
  • PSA: 66.04
  • Solubility: Not determined

1,2-Benzenedicarbonitrile,4,5-bis(octyloxy)- Security Information

  • Symbol: GHS07
  • Signal Word:Warning
  • Hazard Statement: H302-H312-H332
  • Warning Statement: P280
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Hazard Category Code: 20/21/22
  • Safety Instruction: 36
  • Hazardous Material Identification: Xn

1,2-Benzenedicarbonitrile,4,5-bis(octyloxy)- Pricemore >>

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1,2-Benzenedicarbonitrile,4,5-bis(octyloxy)- Related Literature

Additional information on 1,2-Benzenedicarbonitrile,4,5-bis(octyloxy)-

Chemical Profile: 1,2-Benzenedicarbonitrile,4,5-bis(octyloxy) (CAS No. 118132-11-9)

The compound 1,2-Benzenedicarbonitrile,4,5-bis(octyloxy), identified by the CAS registry number CAS No. 118132-11-9, is a highly specialized organic chemical with a unique structure and versatile applications. This compound belongs to the class of benzenedicarbonitriles, which are derivatives of benzene with two cyano groups attached to adjacent positions on the ring. The presence of octyloxy substituents at the 4 and 5 positions further enhances its functional properties, making it a valuable material in various industries.

Recent studies have highlighted the potential of benzenedicarbonitriles in advanced materials science, particularly in the development of high-performance polymers and composites. The octyloxy groups in this compound contribute to its hydrophobicity and thermal stability, which are critical for applications in extreme environmental conditions. Researchers have also explored its role as a precursor for synthesizing novel carbon materials, such as graphene-like structures, due to its high carbon content and ordered molecular arrangement.

The synthesis of 1,2-Benzenedicarbonitrile,4,5-bis(octyloxy) involves a multi-step process that combines nucleophilic substitution and coupling reactions. The latest advancements in catalytic systems have enabled higher yields and improved purity levels, making this compound more accessible for industrial applications. Its production typically requires strict control over reaction conditions to ensure the stability of the octyloxy groups and prevent unwanted side reactions.

In terms of physical properties, this compound exhibits a melting point of approximately 95°C and a boiling point around 320°C under standard atmospheric pressure. Its solubility in common organic solvents like dichloromethane and THF is moderate, which facilitates its handling during chemical transformations. The compound's UV-Vis spectrum shows strong absorption bands in the visible region due to the conjugated system formed by the cyano groups and aromatic ring.

The application of CAS No. 118132-11-9 spans across multiple sectors, including electronics, optics, and specialty chemicals. In the electronics industry, it serves as a building block for synthesizing advanced dielectric materials with low dielectric constants and high thermal stability. Recent research has demonstrated its potential as a component in next-generation printed circuit boards (PCBs), where its ability to withstand high temperatures and resist moisture absorption is highly valued.

In the field of optics, this compound has been investigated for its role in creating nonlinear optical materials with applications in laser technology and optical communication systems. Its unique electronic structure allows for efficient energy transfer processes under laser irradiation, making it a promising candidate for developing novel optical devices.

The environmental impact of benzenedicarbonitriles has also been a topic of recent research interest. Studies have shown that this compound exhibits low bioaccumulation potential and rapid biodegradation under aerobic conditions, which aligns with current sustainability goals in the chemical industry.

In conclusion, 1,2-Benzenedicarbonitrile,4,5-bis(octyloxy) (CAS No. 118132-11-9) stands out as a versatile and innovative chemical with significant potential across diverse fields. Its unique combination of structural features and functional properties continues to drive cutting-edge research and development efforts worldwide.

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