Cas no 57964-39-3 (4-(1-cyanoethyl)-1,2,3,4-tetrahydronaphthalene-1-carbonitrile)

4-(1-Cyanoethyl)-1,2,3,4-tetrahydronaphthalene-1-carbonitrile is a bicyclic organic compound featuring two nitrile functional groups, which enhance its reactivity and utility in synthetic applications. The tetrahydronaphthalene core provides structural rigidity, while the cyanoethyl and carbonitrile substituents offer versatile sites for further chemical modifications. This compound is particularly valuable in pharmaceutical and agrochemical research as a key intermediate for constructing complex heterocycles or functionalized naphthalene derivatives. Its dual nitrile groups enable selective transformations, such as nucleophilic additions or cyclizations, making it a useful building block for fine chemical synthesis. The compound's stability and well-defined reactivity profile contribute to its reliability in multi-step synthetic routes.
4-(1-cyanoethyl)-1,2,3,4-tetrahydronaphthalene-1-carbonitrile structure
57964-39-3 structure
Product Name:4-(1-cyanoethyl)-1,2,3,4-tetrahydronaphthalene-1-carbonitrile
CAS No:57964-39-3
MF:C14H14N2
MW:210.274363040924
CID:1607673
PubChem ID:154379
Update Time:2025-11-06

4-(1-cyanoethyl)-1,2,3,4-tetrahydronaphthalene-1-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 4-(1-cyanoethyl)-1,2,3,4-tetrahydronaphthalene-1-carbonitrile
    • 1-Naphthaleneacetonitrile, 4-cyano-1,2,3,4-tetrahydro-alpha-methyl-
    • 2-[1-(4-Cyano-1,2,3,4-tetrahydronaphthyl)]propanenitrile
    • 4-(1-Cyanoethyl)-1,2,3,4-tetrahydro-1-naphthalenecarbonitrile
    • 4-Cyano-1,2,3,4-tetrahydro-alpha-methyl-1-naphthaleneacetonitrile
    • Styrene-acrylonitrile trimer
    • EN300-10893424
    • 4-(1-Cyanoethyl)-1,2,3,4-tetrahydronaphthalene-1-carbonitrile; 4-Cyano-1,2,3,4-tetrahydro-a-methyl-1-naphthaleneacetonitrile; 1-Cyano-4-(1-cyanoethyl)-1,2,3,4-tetrahydronaphthalene
    • FDTQTOKRWQJRAC-UHFFFAOYSA-N
    • DTXSID2057576
    • SCHEMBL9463787
    • NS00076584
    • 57964-39-3
    • 4-(1-Cyanoethyl)-1,2,3,4-tetrahydro-1-naphthalenecarbonitrile #
    • 1-Naphthaleneacetonitrile, 4-cyano-1,2,3,4-tetrahydro-.alpha.-methyl-
    • 2-[1-(4-cyano-1,2,3,4-tetra-hydronapthyl)]propanenitrile
    • Inchi： 1S/C14H14N2/c1-10(8-15)12-7-6-11(9-16)13-4-2-3-5-14(12)13/h2-5,10-12H,6-7H2,1H3
    • InChI Key： FDTQTOKRWQJRAC-UHFFFAOYSA-N
    • SMILES： N#CC1C2C=CC=CC=2C(C(C#N)C)CC1

Computed Properties

  • Exact Mass: 210.11582
  • Monoisotopic Mass: 210.116
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 1
  • Complexity: 342
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 3
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.6
  • Topological Polar Surface Area: 47.6?2

Experimental Properties

  • Density: 1.09
  • Boiling Point: 424.1°C at 760 mmHg
  • Flash Point: 208.6°C
  • Refractive Index: 1.555
  • PSA: 47.58

4-(1-cyanoethyl)-1,2,3,4-tetrahydronaphthalene-1-carbonitrile Pricemore >>

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