Cas no 13284-42-9 (2-Pentenenitrile)

2-Pentenenitrile (C5H7N) is an unsaturated nitrile compound characterized by its reactive carbon-carbon double bond and nitrile functional group. This clear, colorless to pale yellow liquid is primarily used as an intermediate in organic synthesis, particularly in the production of pharmaceuticals, agrochemicals, and specialty polymers. Its α,β-unsaturated structure makes it a versatile precursor for Michael additions, hydrogenation, and polymerization reactions. The compound's moderate volatility and stability under controlled conditions facilitate handling in industrial processes. Its nitrile group also enables further functionalization into amines, acids, or heterocycles. 2-Pentenenitrile is typically stored under inert conditions to prevent premature polymerization or degradation.
2-Pentenenitrile structure
2-Pentenenitrile structure
Product Name:2-Pentenenitrile
CAS No:13284-42-9
MF:C5H7N
MW:81.1157810688019
MDL:MFCD00001936
CID:207794
PubChem ID:5364360
Update Time:2025-11-02

2-Pentenenitrile Chemical and Physical Properties

Names and Identifiers

    • 2-Pentenenitrile
    • (E,Z)-2-pentenenitrile
    • (Z,E)-2-pentenitrile
    • 1-Buten-1-yl Cyanide
    • 1-Butenyl cyanide
    • 3-METHYL ACRYLONITRILE
    • Pent-2-ennitril
    • pentene nitrile
    • Techabout
    • pent-2-enenitrile
    • Techabout70%
    • Pentenenitrile
    • 2-Pentenenitrile 70%
    • 2-PENTENENITRILE 95+%
    • 2-PENTENENITRILE TECH ABOUT 70%
    • Q27252950
    • 26294-98-4
    • J-006230
    • (2E)-2-Pentenenitrile
    • trans-pent-2-enenitrile
    • 13284-42-9
    • TRANS-1-BUTENYL CYANIDE
    • CHEMBL2138413
    • EINECS 236-297-0
    • (E)-2-Pentenenitrile
    • 2-Pentenenitrile, technical, ~70% (GC)
    • EINECS 247-593-4
    • P0870
    • (Z)-2-Pentenenitrile
    • AKOS000121304
    • NS00084668
    • (E)-Pent-2-enenitrile
    • NCGC00090845-02
    • UNII-1VA047EULA
    • TRANS-2-PENTENENITRILE
    • 2 - Pentenenitrile
    • 1VA047EULA
    • 2-Pentenenitrile, (Z)-
    • 2-Pentenenitrile, (2E)-
    • 4,6-DINITRO-O-CRESOLSODIUMSALT
    • W-110644
    • EN300-19303
    • 2-Pentenenitrile, (E)-
    • (2E)-pent-2-enenitrile
    • (2E)-2-Pentenenitrile #
    • ISBHMJZRKAFTGE-ONEGZZNKSA-N
    • NCGC00090845-01
    • CCRIS 6089
    • 4-(4-HYDROXY-6-METHYL-PYRIMIDIN-2-YLAMINO)-BENZOICACID
    • 2-PENTENENITRILE, TRANS-
    • MDL: MFCD00001936
    • Inchi: 1S/C5H7N/c1-2-3-4-5-6/h3-4H,2H2,1H3/b4-3+
    • InChI Key: ISBHMJZRKAFTGE-ONEGZZNKSA-N
    • SMILES: N#C/C=C/CC

Computed Properties

  • Exact Mass: 81.05780
  • Monoisotopic Mass: 81.057849228g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 6
  • Rotatable Bond Count: 1
  • Complexity: 83.4
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Tautomer Count: nothing
  • XLogP3: 1.2
  • Surface Charge: 0
  • Topological Polar Surface Area: 23.8?2

Experimental Properties

  • Color/Form: Not determined
  • Density: 0.821?g/mL?at 20?°C(lit.)
  • Boiling Point: 44°C/20mmHg(lit.)
  • Flash Point: 24 °C
  • Refractive Index: n20/D 1.422
  • PSA: 23.79000
  • LogP: 1.47618
  • Solubility: Not determined
  • Vapor Pressure: 22.2±0.2 mmHg at 25°C

2-Pentenenitrile Security Information

2-Pentenenitrile 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%

2-Pentenenitrile Pricemore >>

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2-Pentenenitrile Related Literature

Additional information on 2-Pentenenitrile

Comprehensive Guide to 2-Pentenenitrile (CAS No. 13284-42-9): Properties, Applications, and Market Insights

2-Pentenenitrile (CAS No. 13284-42-9) is an organic compound belonging to the nitrile family, characterized by its unsaturated carbon chain and cyano functional group. This versatile chemical intermediate has garnered significant attention in industrial and research applications due to its unique reactivity and role in synthesizing higher-value compounds. With the growing demand for specialty chemicals and green chemistry solutions, understanding 2-Pentenenitrile's properties and applications becomes crucial for professionals in pharmaceuticals, agrochemicals, and material science.

The molecular structure of 2-Pentenenitrile features a five-carbon chain with a double bond at the second position and a nitrile group at one terminus. This configuration makes it valuable for Michael addition reactions and polymer modifications. Recent studies highlight its potential in creating bio-based polymers, aligning with the global shift toward sustainable materials. Researchers are particularly interested in how 2-Pentenenitrile derivatives can enhance the performance of biodegradable plastics while maintaining cost efficiency.

In pharmaceutical applications, 2-Pentenenitrile serves as a building block for active pharmaceutical ingredients (APIs). Its ability to undergo selective hydrogenation makes it valuable for producing chiral intermediates used in drug development. The compound's relevance has increased with the rise of precision medicine and small-molecule therapeutics, where nitrile-containing compounds play pivotal roles. Additionally, its derivatives show promise in crop protection formulations, addressing the agricultural sector's need for safer, more effective solutions.

The market for 2-Pentenenitrile reflects broader trends in the fine chemicals industry. As manufacturers prioritize atom-efficient synthesis and waste reduction, this compound's utility in catalytic processes has grown. Industry reports indicate rising demand from Asia-Pacific regions, driven by expansions in pharmaceutical manufacturing and electronic materials production. Companies are investing in continuous flow chemistry methods to improve 2-Pentenenitrile production efficiency while minimizing environmental impact.

From a safety perspective, proper handling of 2-Pentenenitrile requires standard laboratory precautions for nitrile compounds. Its volatility and reactivity necessitate appropriate ventilation and personal protective equipment during use. Regulatory frameworks classify it under general industrial chemicals, with specific guidelines available from organizations like REACH and OECD. These protocols ensure safe transportation, storage, and disposal practices across global supply chains.

Innovation surrounding 2-Pentenenitrile continues to evolve, particularly in catalysis research and process intensification. Recent patents demonstrate novel methods for its synthesis from renewable feedstocks, reducing reliance on petrochemical sources. Academic institutions and corporate R&D teams are exploring its potential in energy storage materials and advanced coatings, further expanding its industrial relevance. Such developments position 2-Pentenenitrile as a compound of growing importance in multiple technology sectors.

For researchers and procurement specialists, selecting high-quality 2-Pentenenitrile requires attention to purity specifications and supplier reliability. Standard analytical techniques like GC-MS and HPLC verify product consistency, while proper storage conditions prevent degradation. The compound's shelf life and stability make it suitable for various experimental and production needs when handled according to established protocols.

Looking ahead, the trajectory for 2-Pentenenitrile applications appears promising. Emerging fields like carbon capture utilization and circular economy initiatives may create new opportunities for nitrile chemistry. As industries seek alternatives to traditional materials, the versatility of 2-Pentenenitrile and its derivatives will likely drive continued innovation and market growth in the coming decade.

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