Cas no 68983-70-0 (1-(p-Tolyl)cyclopentanecarbonitrile)

1-(p-Tolyl)cyclopentanecarbonitrile structure
68983-70-0 structure
Product Name:1-(p-Tolyl)cyclopentanecarbonitrile
CAS No:68983-70-0
MF:C13H15N
MW:185.264903306961
CID:528068
PubChem ID:98623
Update Time:2025-10-29

1-(p-Tolyl)cyclopentanecarbonitrile Chemical and Physical Properties

Names and Identifiers

    • 1-(p-Tolyl)cyclopentanecarbonitrile
    • 1-(4-Methylphenyl)-1-cyclopentanecarbonitrile
    • 1-(4-methylphenyl)cyclopentane-1-carbonitrile
    • 1-(P-TOLYL)-1-CYCLOPENTANECARBONITRILE
    • Cyclopentanecarbonitrile, 1-(4-methylphenyl)-
    • 1-(4-methylphenyl)cyclopentanecarbonitrile
    • 1-(p-Methylphenyl)cyclopentanecarbonitrile
    • MFCD00065261
    • Cyclopentanecarbonitrile, 1-p-tolyl-
    • SCHEMBL2441730
    • NSC 154618
    • DTXSID20219031
    • EINECS 273-487-2
    • BB 0245831
    • NSC-154618
    • ULS5W2DPR3
    • AKOS000298366
    • NS00036793
    • NSC154618
    • 1-p-Tolylcyclopentanecarbonitrile
    • 68983-70-0
    • FT-0605868
    • 1-p-Tolyl-cyclopentanecarbonitrile
    • Inchi: 1S/C13H15N/c1-11-4-6-12(7-5-11)13(10-14)8-2-3-9-13/h4-7H,2-3,8-9H2,1H3
    • InChI Key: GTHMJIFNCGSBJT-UHFFFAOYSA-N
    • SMILES: N#CC1(C2C=CC(C)=CC=2)CCCC1

Computed Properties

  • Exact Mass: 185.12000
  • Monoisotopic Mass: 185.12
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 233
  • 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: 3.4
  • Topological Polar Surface Area: 23.8A^2

Experimental Properties

  • Color/Form: Not available
  • Density: 1.04
  • Boiling Point: 158-160 oC
  • Flash Point: 121.3°C
  • Refractive Index: 1.5298-1.5398
  • PSA: 23.79000
  • LogP: 3.33038
  • Solubility: Not available

1-(p-Tolyl)cyclopentanecarbonitrile Security Information

1-(p-Tolyl)cyclopentanecarbonitrile Customs Data

  • HS CODE:2926909090
  • Customs Data:

    China Customs Code:

    2926909090

    Overview:

    2926909090 Other nitrile based compounds. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

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Additional information on 1-(p-Tolyl)cyclopentanecarbonitrile

1-(p-Tolyl)cyclopentanecarbonitrile (CAS No. 68983-70-0): A Comprehensive Overview of Properties and Applications

1-(p-Tolyl)cyclopentanecarbonitrile (CAS No. 68983-70-0) is an organic compound that has garnered significant attention in the chemical and pharmaceutical industries. This nitrile derivative, featuring a cyclopentane ring substituted with a p-tolyl group, is widely utilized in synthetic chemistry due to its versatile reactivity. The compound is also known by its systematic name, 1-(4-methylphenyl)cyclopentanecarbonitrile, which highlights its structural components. Researchers and manufacturers often seek high-purity 1-(p-Tolyl)cyclopentanecarbonitrile for advanced applications, making it a valuable intermediate in organic synthesis.

The molecular structure of 1-(p-Tolyl)cyclopentanecarbonitrile consists of a cyclopentane ring attached to a carbonitrile group and a p-tolyl (4-methylphenyl) moiety. This unique arrangement contributes to its chemical stability and reactivity, making it suitable for various transformations. The compound's CAS number 68983-70-0 is frequently used in scientific literature and commercial catalogs to ensure accurate identification. With a molecular formula of C13H15N, it falls under the category of nitriles, which are known for their utility in synthesizing amines, carboxylic acids, and heterocyclic compounds.

One of the key applications of 1-(p-Tolyl)cyclopentanecarbonitrile is in pharmaceutical research, where it serves as a building block for drug development. Its nitrile group can undergo hydrolysis, reduction, or cyclization reactions, enabling the creation of diverse bioactive molecules. Additionally, the compound is explored in material science for designing polymers and specialty chemicals. Given the rising demand for custom synthesis of 1-(p-Tolyl)cyclopentanecarbonitrile, suppliers often provide tailored solutions to meet industry-specific requirements.

Recent trends in green chemistry have also influenced the synthesis and use of 1-(p-Tolyl)cyclopentanecarbonitrile. Researchers are investigating eco-friendly catalytic methods to produce this compound with minimal waste and energy consumption. The push for sustainable alternatives has led to innovations in solvent-free reactions and biocatalysis, aligning with global environmental goals. As a result, CAS 68983-70-0 is increasingly discussed in the context of green synthetic pathways and circular economy principles.

In the commercial sector, 1-(p-Tolyl)cyclopentanecarbonitrile is available in various grades, including research-grade and industrial-scale quantities. Buyers often inquire about bulk suppliers of 1-(p-Tolyl)cyclopentanecarbonitrile to support large-scale production needs. Quality control measures, such as HPLC and GC analysis, ensure the compound meets stringent purity standards. Furthermore, regulatory compliance and safety data sheets (SDS) are essential for handling and transportation, reinforcing its role as a reliable chemical intermediate.

Looking ahead, the demand for 1-(p-Tolyl)cyclopentanecarbonitrile is expected to grow, driven by advancements in medicinal chemistry and specialty materials. Its compatibility with modern synthetic techniques, such as flow chemistry and microwave-assisted reactions, positions it as a future-proof compound. Whether for academic research or industrial applications, CAS No. 68983-70-0 remains a critical component in the toolkit of chemists worldwide.

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