Cas no 81286-10-4 (5-chloro-2-Benzoxazoleacetonitrile)

5-Chloro-2-benzoxazoleacetonitrile is a versatile heterocyclic compound featuring a chloro-substituted benzoxazole core linked to an acetonitrile moiety. This structure imparts reactivity suitable for use as an intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. The chloro group enhances electrophilic substitution potential, while the nitrile functionality offers a handle for further derivatization, such as hydrolysis or nucleophilic addition. Its stability under standard conditions and compatibility with common synthetic methodologies make it a practical choice for constructing complex molecular architectures. The compound’s well-defined purity and consistent performance ensure reliability in research and industrial applications.
5-chloro-2-Benzoxazoleacetonitrile structure
81286-10-4 structure
Product Name:5-chloro-2-Benzoxazoleacetonitrile
CAS No:81286-10-4
MF:C9H5ClN2O
MW:192.601800680161
CID:2145028
PubChem ID:4301568
Update Time:2025-06-06

5-chloro-2-Benzoxazoleacetonitrile Chemical and Physical Properties

Names and Identifiers

    • 5-chloro-2-Benzoxazoleacetonitrile
    • SCHEMBL8626880
    • 81286-10-4
    • 5-chloro-2-cyanomethyl benzoxazole
    • DB-306598
    • Inchi: 1S/C9H5ClN2O/c10-6-1-2-8-7(5-6)12-9(13-8)3-4-11/h1-2,5H,3H2
    • InChI Key: QWFMBABODIAJPE-UHFFFAOYSA-N
    • SMILES: ClC1C=CC2=C(C=1)N=C(CC#N)O2

Computed Properties

  • Exact Mass: 192.0090405Da
  • Monoisotopic Mass: 192.0090405Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 237
  • 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
  • XLogP3: 2.1
  • Topological Polar Surface Area: 49.8?2

5-chloro-2-Benzoxazoleacetonitrile Pricemore >>

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