Cas no 1260783-81-0 (4-chloro-1,2-benzoxazole)

4-Chloro-1,2-benzoxazole is a heterocyclic compound featuring a chloro-substituted benzoxazole core, commonly utilized as a versatile intermediate in organic synthesis. Its reactive chloro group enables efficient functionalization, making it valuable for constructing more complex molecular architectures, particularly in pharmaceutical and agrochemical applications. The benzoxazole scaffold contributes to its stability and compatibility with diverse reaction conditions. This compound is particularly useful in nucleophilic substitution reactions, coupling processes, and as a precursor for further derivatization. Its well-defined structure and high purity ensure reproducibility in research and industrial settings. Suitable for use under controlled conditions, it serves as a key building block in medicinal chemistry and material science.
4-chloro-1,2-benzoxazole structure
4-chloro-1,2-benzoxazole structure
Product Name:4-chloro-1,2-benzoxazole
CAS No:1260783-81-0
MF:C7H4ClNO
MW:153.565760612488
CID:1081793
PubChem ID:19020737
Update Time:2025-06-07

4-chloro-1,2-benzoxazole Chemical and Physical Properties

Names and Identifiers

    • 4-Chlorobenzo[d]isoxazole
    • 4-chloro-1,2-benzoxazole
    • SCHEMBL476806
    • A926413
    • EN300-1460828
    • DTXSID30597453
    • 1260783-81-0
    • MDL: MFCD13193491
    • Inchi: 1S/C7H4ClNO/c8-6-2-1-3-7-5(6)4-9-10-7/h1-4H
    • InChI Key: KIDRAJFMFLDKDJ-UHFFFAOYSA-N
    • SMILES: ClC1=CC=CC2=C1C=NO2

Computed Properties

  • Exact Mass: 152.9981414g/mol
  • Monoisotopic Mass: 152.9981414g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 131
  • 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: 2.3
  • Topological Polar Surface Area: 26?2

4-chloro-1,2-benzoxazole Security Information

  • Storage Condition:Sealed in dry,2-8°C

4-chloro-1,2-benzoxazole Pricemore >>

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