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CS-W001157 4
Total: USD 88.00

3-Phenylisoxazole-5-carboxylic acid

  • CAS No. 14442-12-7

  • Cat. No. CS-0085257
  • Purity≥98%
  • MDL No.MFCD01936010

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

3-Phenylisoxazole-5-carboxylic acid|CS-0085257

Structure of 14442-12-7

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General Information

  • CAS No. 14442-12-7
  • Cat. No. CS-0085257
  • Purity ≥98%
  • MDL No. MFCD01936010
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₇NO₃
  • Molecular Weight 189.17
  • Synonym(s) 3-PHENYL-5-ISOXAZOLECARBOXYLIC ACID
  • SMILES O=C(C1=CC(C2=CC=CC=C2)=NO1)O

Synthesis

  • Route1
    • Methyl 3-phenylisoxazole-5-carboxylate|CS-0161133
      1081-30-7
    • ~81%
    • In-stock
      3-Phenylisoxazole-5-carboxylic acid|CS-0085257
      14442-12-7

    References

    • VICURON PHARMACEUTICALS INC. Patent: US2006/211603 A1, 2006 ; Location in patent: Page/Page column 39; 48 ;
  • Route2

    References

    • Wang, Xi-Zhao; Jia, Jiong; Zhang, Yan; Xu, Wei-Ren; Liu, Wei; Shi, Fang-Niu; Wang, Jian-Wu Journal of the Chinese Chemical Society, 2007 , vol. 54, # 3 p. 643 - 652
  • Route3
    • null|null
      873-67-6
    • null|null
      471-25-0
    • ~86%
    • In-stock
      3-Phenylisoxazole-5-carboxylic acid|CS-0085257
      14442-12-7

    References

    • Zheng, Hongchao; McDonald, Robert; Hall, Dennis G. Chemistry - A European Journal, 2010 , vol. 16, # 18 p. 5454 - 5460

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   63.33
  • LogP   2.0398
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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