Cas no 3598-14-9 (2-phenoxyacetonitrile)

2-Phenoxyacetonitrile (CAS 2243-82-5) is a versatile organic compound characterized by the presence of a phenoxy group attached to an acetonitrile moiety. This clear to pale yellow liquid is widely utilized as an intermediate in organic synthesis, particularly in the production of pharmaceuticals, agrochemicals, and specialty chemicals. Its nitrile functionality enables further transformations, such as hydrolysis to carboxylic acids or reduction to amines, enhancing its utility in multi-step syntheses. With a molecular formula of C8H7NO and a boiling point of approximately 240°C, it offers stability under standard conditions. Its reactivity and compatibility with various reagents make it a valuable building block in fine chemical manufacturing.
2-phenoxyacetonitrile structure
2-phenoxyacetonitrile structure
Product Name:2-phenoxyacetonitrile
CAS No:3598-14-9
MF:C8H7NO
MW:133.147281885147
MDL:MFCD00052017
CID:84810
PubChem ID:354333852
Update Time:2025-06-08

2-phenoxyacetonitrile Chemical and Physical Properties

Names and Identifiers

    • 2-Phenoxyacetonitrile
    • Phenoxyacetonirile
    • Phenoxyacetonitrile
    • Acetonitrile, phenoxy-
    • phenoxy-acetonitrile
    • VLLSCJFPVSQXDM-UHFFFAOYSA-N
    • 2-phenoxyethanenitrile
    • NSC49354
    • 2-Phenoxy-acetonitrile
    • Acetonitrile,2-phenoxy-
    • Phenoxyacetonitrile, 98%
    • STR06531
    • SBB016774
    • 4519AB
    • TRA0160930
    • NE11056
    • SY005439
    • AB1000469
    • ST50405004
    • P2217
    • Z53792061
    • UNII-QU78TF2FK8
    • CS-0136967
    • MFCD00052017
    • DTXSID60287158
    • A874478
    • FT-0751344
    • Phenoxyacetonirile;Phenoxyacetonitrile
    • AKOS000189940
    • SCHEMBL180023
    • NSC-49354
    • EN300-32030
    • 3598-14-9
    • QU78TF2FK8
    • DTXCID00238306
    • DB-069288
    • Phenoxyacetonitrile; Acetonitrile, 2-phenoxy-; Acetonitrile, phenoxy- (6CI,7CI,8CI,9CI); 2-Phenoxyacetonitrile; NSC 49354; Phenoxyacetonitrile
    • STL581727
    • 2-phenoxyacetonitrile
    • MDL: MFCD00052017
    • Inchi: 1S/C8H7NO/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,7H2
    • InChI Key: VLLSCJFPVSQXDM-UHFFFAOYSA-N
    • SMILES: O(CC#N)C1C=CC=CC=1
    • BRN: 2206192

Computed Properties

  • Exact Mass: 133.05300
  • Monoisotopic Mass: 133.053
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • Complexity: 129
  • 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: 2.1
  • Topological Polar Surface Area: 33

Experimental Properties

  • Color/Form: Uncertain
  • Density: 1.09?g/mL?at 25?°C(lit.)
  • Boiling Point: 112°C/10mmHg(lit.)
  • Flash Point: >230?°F
  • Refractive Index: n20/D 1.524(lit.)
  • PSA: 33.02000
  • LogP: 1.58898
  • Solubility: Uncertain

2-phenoxyacetonitrile Security Information

2-phenoxyacetonitrile 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-phenoxyacetonitrile Pricemore >>

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2-phenoxyacetonitrile Production Method

2-phenoxyacetonitrile Suppliers

Amadis Chemical Company Limited
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(CAS:3598-14-9)2-phenoxyacetonitrile
Order Number:A874478
Stock Status:in Stock
Quantity:100g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 09:43
Price ($):243.0

2-phenoxyacetonitrile Related Literature

Additional information on 2-phenoxyacetonitrile

Professional Introduction to 2-phenoxyacetonitrile (CAS No. 3598-14-9)

2-phenoxyacetonitrile, with the chemical formula C?H?NO, is a versatile intermediate in organic synthesis, playing a pivotal role in the development of pharmaceuticals, agrochemicals, and specialty chemicals. Its molecular structure, featuring a phenoxy group attached to an acetonitrile moiety, endows it with unique reactivity that makes it invaluable in synthetic chemistry. This compound is primarily recognized for its utility in constructing complex molecules, particularly in the pharmaceutical industry, where it serves as a precursor for numerous bioactive agents.

The significance of 2-phenoxyacetonitrile (CAS No. 3598-14-9) is further underscored by its applications in the synthesis of active pharmaceutical ingredients (APIs). Recent advancements in medicinal chemistry have highlighted its role in the development of novel therapeutic agents targeting various diseases. For instance, studies have demonstrated its utility in constructing heterocyclic scaffolds that exhibit potent biological activity. The phenoxy group provides a favorable electronic and steric environment for further functionalization, enabling the design of molecules with enhanced pharmacological properties.

In the realm of agrochemicals, 2-phenoxyacetonitrile (CAS No. 3598-14-9) has been utilized as a key intermediate in the synthesis of herbicides and pesticides. Its structural features allow for the development of compounds that interact selectively with biological targets in plants and pests, contributing to more efficient and sustainable agricultural practices. The growing demand for environmentally friendly agrochemicals has spurred research into optimizing synthetic routes involving this compound to minimize waste and improve yields.

Recent research has also explored the role of 2-phenoxyacetonitrile (CAS No. 3598-14-9) in material science. Its ability to undergo various chemical transformations makes it a valuable building block for polymers and advanced materials. For example, researchers have investigated its incorporation into polymer matrices to enhance thermal stability and mechanical strength. These findings open up new possibilities for applications in high-performance materials used in electronics, aerospace, and automotive industries.

The synthesis of 2-phenoxyacetonitrile (CAS No. 3598-14-9) typically involves the reaction of phenoxyacetic acid with cyanogen bromide or other cyanating agents under controlled conditions. Advances in synthetic methodologies have led to more efficient and scalable production processes, reducing costs and improving purity. These improvements are crucial for meeting the increasing demand for this compound in industrial applications.

From a regulatory perspective, ensuring the quality and consistency of 2-phenoxyacetonitrile (CAS No. 3598-14-9) is essential for its safe and effective use across various industries. Manufacturers must adhere to stringent quality control measures to guarantee that the compound meets the required specifications. This includes rigorous testing for purity, absence of impurities, and compliance with international standards such as those set by the International Council for Harmonisation (ICH).

The future prospects of 2-phenoxyacetonitrile (CAS No. 3598-14-9) are promising, with ongoing research aimed at expanding its applications and improving its synthesis methods. Collaborative efforts between academia and industry are likely to drive innovation, leading to new derivatives and functionalities that could revolutionize multiple sectors. As our understanding of molecular interactions deepens, so too will the potential uses of this versatile intermediate.

In conclusion, 2-phenoxyacetonitrile (CAS No. 3598-14-9) remains a cornerstone in organic synthesis, with far-reaching implications in pharmaceuticals, agrochemicals, and material science. Its unique properties and broad utility ensure its continued relevance in addressing global challenges across multiple domains.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:3598-14-9)2-phenoxyacetonitrile
A874478
Purity:99%
Quantity:100g
Price ($):243.0
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