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CS-W001157 4
Total: USD 88.00

5-(4-Chlorophenyl)isoxazole

  • CAS No. 7064-32-6

  • Cat. No. CS-0326577
  • Purity≥97%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

5-(4-Chlorophenyl)isoxazole|CS-0326577

Structure of 7064-32-6

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General Information

  • CAS No. 7064-32-6
  • Cat. No. CS-0326577
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆ClNO
  • Molecular Weight 179.60
  • Synonym(s) 5-(4-chlorophenyl)-1,2-oxazole
  • SMILES C1=C(C=CC(=C1)Cl)C2=CC=NO2

Synthesis

  • Route1
    • 1-(4-Chlorophenyl)-3-(dimethylamino)-2-propen-1-one|CS-0783056
      28587-05-5
    • ~76%
    • 5-(4-Chlorophenyl)isoxazole|CS-0326577
      7064-32-6

    References

    • Lin, Yang-i; Lang, Stanley, A. Journal of Organic Chemistry, 1980 , vol. 45, # 24 p. 4857 - 4860
  • Route2

    References

    • Rosa, Fernanda A.; Machado, Pablo; Bonacorso, Helio G.; Zanatta, Nilo; Martins, Marcos A. P. Journal of Heterocyclic Chemistry, 2008 , vol. 45, # 3 p. 879 - 885
  • Route3
    • null|null
      99-91-2
    • ~%
    • 5-(4-Chlorophenyl)isoxazole|CS-0326577
      7064-32-6

    References

    • Journal of Organic Chemistry USSR (English Translation), , vol. 7, p. 2051 - 2055 Zhurnal Organicheskoi Khimii, , vol. 7, p. 1979 - 1984

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301
Precautionary Statements : P264-P270-P330-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.03
  • LogP   2.995
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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