Cas no 89808-74-2 (5-(2-chlorophenyl)-1,3-oxazole)

5-(2-Chlorophenyl)-1,3-oxazole is a heterocyclic compound featuring an oxazole ring substituted with a 2-chlorophenyl group at the 5-position. This structure imparts unique electronic and steric properties, making it a valuable intermediate in organic synthesis and pharmaceutical research. The presence of the chlorophenyl moiety enhances its reactivity in cross-coupling reactions, while the oxazole core contributes to its versatility in constructing complex molecular frameworks. Its stability under standard conditions and compatibility with various reaction conditions further underscore its utility in medicinal chemistry and material science applications. This compound is particularly useful in the development of bioactive molecules and functional materials.
5-(2-chlorophenyl)-1,3-oxazole structure
89808-74-2 structure
Product Name:5-(2-chlorophenyl)-1,3-oxazole
CAS No:89808-74-2
MF:C9H6ClNO
MW:179.603041172028
MDL:MFCD00084973
CID:720204
PubChem ID:2735796
Update Time:2025-10-18

5-(2-chlorophenyl)-1,3-oxazole Chemical and Physical Properties

Names and Identifiers

    • Oxazole,5-(2-chlorophenyl)-
    • 5-(2-Chlorophenyl)-1,3-oxazole
    • 5-(2-chlorophenyl)Oxazole
    • 5-(o-Chlorophenyl)oxazole
    • Oxazole,5-(2-chlorophenyl)
    • 5-(2-Chlorophenyl)-1,3-oxazole98%
    • 5-(2-Chlorophenyl)-1
    • 5-(2-Chlorophenyl)-1,3-oxazole 98%
    • Oxazole, 5-(2-chlorophenyl)-
    • DB-057166
    • 5-(2-chlorophenyl)oxazole, AldrichCPR
    • DTXSID40370951
    • AKOS005254940
    • CHEMBL4633532
    • SCHEMBL1363022
    • PS-5267
    • 89808-74-2
    • MFCD00084973
    • 5-(2-Chloro-phenyl)-oxazole
    • F71623
    • 5-(2-chlorophenyl)-1,3-oxazole
    • MDL: MFCD00084973
    • Inchi: 1S/C9H6ClNO/c10-8-4-2-1-3-7(8)9-5-11-6-12-9/h1-6H
    • InChI Key: DMZJGPXZLVUMIN-UHFFFAOYSA-N
    • SMILES: O1C(C2=CC=CC=C2Cl)=CN=C1

Computed Properties

  • Exact Mass: 179.01400
  • Monoisotopic Mass: 179.0137915g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 154
  • 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: 2.6
  • Topological Polar Surface Area: 26?2

Experimental Properties

  • Density: 1.258±0.06 g/cm3(Predicted)
  • Melting Point: 33-35
  • Boiling Point: 274.7±15.0 °C(Predicted)
  • PSA: 26.03000
  • LogP: 2.99500
  • pka: 0.17±0.10(Predicted)

5-(2-chlorophenyl)-1,3-oxazole Security Information

  • Hazard Statement: Irritant
  • Hazard Category Code: 25
  • Safety Instruction: 45
  • Hazardous Material Identification: Xi

5-(2-chlorophenyl)-1,3-oxazole Customs Data

  • HS CODE:2934999090
  • Customs Data:

    China Customs Code:

    2934999090

    Overview:

    2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

5-(2-chlorophenyl)-1,3-oxazole Pricemore >>

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