Cas no 6328-48-9 (3-(Benzyloxy)propanenitrile)

3-(Benzyloxy)propanenitrile is a versatile organic compound featuring a benzyl ether group and a nitrile functionality, making it a valuable intermediate in synthetic organic chemistry. Its structure allows for further functionalization, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. The benzyloxy group provides stability and selective reactivity, while the nitrile moiety serves as a precursor for carboxylic acids, amides, and other nitrogen-containing derivatives. This compound is particularly useful in nucleophilic substitution and reduction reactions. Its well-defined reactivity profile and compatibility with various reaction conditions make it a practical choice for researchers developing complex molecular architectures.
3-(Benzyloxy)propanenitrile structure
3-(Benzyloxy)propanenitrile structure
Product Name:3-(Benzyloxy)propanenitrile
CAS No:6328-48-9
MF:C10H11NO
MW:161.200442552567
MDL:MFCD00035701
CID:46649
PubChem ID:80620
Update Time:2025-08-02

3-(Benzyloxy)propanenitrile Chemical and Physical Properties

Names and Identifiers

    • 3-(benzyloxy)propiononitrile
    • 3-benzyloxypropionitrile
    • 3-(Benzyloxy)propanenitrile
    • 3-(Benzyloxy)propionitrile
    • 3-(phenylmethoxy)propanenitrile 3-(benzyloxy)propionitrile
    • 2-Cyanoethylbenzyl ether
    • 3-(benzyloxy)propanitrile
    • 3-(phenylmethoxy)-propanenitril
    • 3-(phenylmethoxy)-Propanenitrile
    • 3-benzyloxypropanenitrile
    • Benzyl 2-cyanoethyl ether
    • O-benzyl-2-cyanoethanol
    • Propanenitrile,3-(phenylmethoxy)
    • PROPIONITRILE, 3-(BENZYLOXY)-
    • EN300-41576
    • D84177
    • Propanenitrile, 3-(phenylmethoxy)-
    • 6328-48-9
    • MFCD00035701
    • AS-17744
    • DTXSID7064237
    • UNII-7ZY86LAO89
    • SCHEMBL5447262
    • IOFHIWGGQITXMV-UHFFFAOYSA-N
    • NS00021274
    • SY174444
    • (BENZYLOXY)PROPIONITRILE
    • NSC43693
    • 7ZY86LAO89
    • 3-(phenylmethoxy)propanenitrile
    • W-104919
    • 3-phenylmethoxypropanenitrile
    • NSC-43693
    • FT-0762535
    • Z317037710
    • EINECS 228-698-4
    • NSC 43693
    • A834312
    • 3-(Benzyloxy)propanenitrile, AldrichCPR
    • AKOS000167059
    • CS-0156145
    • ALBB-025925
    • STL268889
    • MDL: MFCD00035701
    • Inchi: 1S/C10H11NO/c11-7-4-8-12-9-10-5-2-1-3-6-10/h1-3,5-6H,4,8-9H2
    • InChI Key: IOFHIWGGQITXMV-UHFFFAOYSA-N
    • SMILES: O(CCC#N)CC1C=CC=CC=1

Computed Properties

  • Exact Mass: 161.08400
  • Monoisotopic Mass: 161.084
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 4
  • Complexity: 153
  • 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
  • Topological Polar Surface Area: 33A^2
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 1.3

Experimental Properties

  • Density: 1.039
  • Boiling Point: 297.7 °C at 760 mmHg
  • Flash Point: 125.4 °C
  • Refractive Index: 1.514
  • PSA: 33.02000
  • LogP: 2.11688
  • Vapor Pressure: 0.0±0.6 mmHg at 25°C

3-(Benzyloxy)propanenitrile Security Information

3-(Benzyloxy)propanenitrile 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 3-(Benzyloxy)propanenitrile

3-(Benzyloxy)propanenitrile: A Comprehensive Overview

3-(Benzyloxy)propanenitrile, identified by the CAS number 6328-48-9, is a versatile organic compound that has garnered significant attention in various fields of chemistry and materials science. This compound, characterized by its unique structure and functional groups, plays a pivotal role in the synthesis of advanced materials, pharmaceuticals, and specialty chemicals. Recent studies have highlighted its potential in enhancing the performance of polymer-based composites and its role in drug delivery systems.

The molecular structure of 3-(Benzyloxy)propanenitrile comprises a benzyloxy group attached to a propanenitrile backbone. This configuration imparts the compound with distinctive chemical properties, including high reactivity and compatibility with various synthetic pathways. Researchers have explored its ability to act as a precursor in the formation of high-performance polymers, where its nitrile group serves as a key functional site for polymerization reactions.

Recent advancements in green chemistry have led to innovative synthesis methods for 3-(Benzyloxy)propanenitrile. For instance, catalytic processes utilizing enzymes or metal-organic frameworks (MOFs) have been employed to enhance reaction efficiency and reduce environmental impact. These methods not only improve the yield but also align with sustainable practices, making this compound more accessible for industrial applications.

In the realm of pharmaceuticals, 3-(Benzyloxy)propanenitrile has shown promise as an intermediate in drug synthesis. Its ability to undergo various transformations, such as hydrolysis and substitution reactions, makes it a valuable building block for creating bioactive molecules. Recent studies have demonstrated its role in the development of anticancer agents, where its structural flexibility allows for the design of molecules with enhanced bioavailability and efficacy.

The application of 3-(Benzyloxy)propanenitrile extends beyond traditional chemical synthesis into emerging areas like nanotechnology. Its use as a stabilizing agent in the synthesis of nanoparticles has been reported, where it helps in controlling particle size and surface properties. This capability is particularly advantageous in applications such as sensors and catalysis, where precise control over nanostructures is crucial.

In terms of environmental considerations, researchers have investigated the biodegradation pathways of 3-(Benzyloxy)propanenitrile. Studies indicate that under specific microbial conditions, this compound can undergo biodegradation, reducing its persistence in the environment. This information is critical for assessing its ecological impact and ensuring responsible use in industrial processes.

The future outlook for 3-(Benzyloxy)propanenitrile appears promising, with ongoing research exploring its potential in advanced materials science and sustainable chemistry. Its unique properties position it as a key player in developing next-generation materials and therapies. As technological advancements continue to unfold, this compound is expected to find even more diverse applications across various industries.

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