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CS-W001157 4
Total: USD 88.00

3-(4-Chlorophenyl)isoxazole

  • CAS No. 31301-39-0

  • Cat. No. CS-0206261
  • Purity≥95%
  • MDL No.MFCD08446383

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

3-(4-Chlorophenyl)isoxazole|CS-0206261

Structure of 31301-39-0

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General Information

  • CAS No. 31301-39-0
  • Cat. No. CS-0206261
  • Purity ≥95%
  • MDL No. MFCD08446383
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆ClNO
  • Molecular Weight 179.60
  • Synonym(s) 3-(4-chlorophenyl)isoxazole 31301-39-0
  • SMILES C1=C(C=CC(=C1)Cl)C2=NOC=C2

Synthesis

  • Route1
    • p-Chlorocinnamaldehyde|CS-D1085
      1075-77-0
    • ~86%
    • 3-(4-Chlorophenyl)isoxazole|CS-0206261
      31301-39-0

    References

    • Tang, Shibing; He, Jinmei; Sun, Yongquan; He, Liuer; She, Xuegong Organic Letters, 2009 , vol. 11, # 17 p. 3982 - 3985
  • Route2
    • null|null
      1258507-15-1
    • ~80%
    • 3-(4-Chlorophenyl)isoxazole|CS-0206261
      31301-39-0

    References

    • Vitale, Paola; Di Nunno, Leonardo; Scilimati, Antonio Synthesis, 2010 , # 18 p. 3195 - 3203
  • Route3
    • null|null
      170648-35-8
    • ~73%
    • 3-(4-Chlorophenyl)isoxazole|CS-0206261
      31301-39-0

    References

    • Di Nunno, Leonardo; Vitale, Paola; Scilimati, Antonio Tetrahedron, 2008 , vol. 64, # 49 p. 11198 - 11204

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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