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CS-W001157 4
Total: USD 88.00

3-(Chloromethyl)-5-phenylisoxazole

  • CAS No. 14731-10-3

  • Cat. No. CS-0074565
  • Purity≥95%
  • MDL No.MFCD01444154

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

3-(Chloromethyl)-5-phenylisoxazole|CS-0074565

Structure of 14731-10-3

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General Information

  • CAS No. 14731-10-3
  • Cat. No. CS-0074565
  • Purity ≥95%
  • MDL No. MFCD01444154
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₈ClNO
  • Molecular Weight 193.63
  • Synonym(s) 3-(chloromethyl)-5-phenyl-1,2-oxazole
  • SMILES ClCC1=NOC(C2=CC=CC=C2)=C1

Synthesis

  • Route1

    References

    • Takeda Chemical Industries, Ltd. Patent: US6251926 B1, 2001 ;
  • Route2
    • null|null
      1007401-94-6
    • ~59%
    • 3-(Chloromethyl)-5-phenylisoxazole|CS-0074565
      14731-10-3

    References

    • Kashiwabara, Taigo; Fuse, Kouichiro; Hua, Ruimao; Tanaka, Masato Organic Letters, 2008 , vol. 10, # 23 p. 5469 - 5472
  • Route3
    • null|null
      858489-69-7
    • ~%
    • 3-(Chloromethyl)-5-phenylisoxazole|CS-0074565
      14731-10-3

    References

    • Musante Gazzetta Chimica Italiana, 1941 , vol. 71, p. 565,572 Gazzetta Chimica Italiana, 1946 , vol. 76, p. 131,140

Safety Information

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GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H314
Precautionary Statements : P280-P301+P330+P331

Quality Control

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Computational Chemistry Data

  • TPSA   26.03
  • LogP   3.0804
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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