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CS-W001157 4
Total: USD 88.00

(2-Fluoro-6-nitro-phenyl)-acetic acid

  • CAS No. 136916-19-3

  • Cat. No. CS-0341004
  • Purity≥98%
  • MDL No.MFCD13185636

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

(2-Fluoro-6-nitro-phenyl)-acetic acid|CS-0341004

Structure of 136916-19-3

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General Information

  • CAS No. 136916-19-3
  • Cat. No. CS-0341004
  • Purity ≥98%
  • MDL No. MFCD13185636
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆FNO₄
  • Molecular Weight 199.14
  • Synonym(s) 2-Fluoro-6-nitrophenylacetic acid
  • SMILES C1=CC(=C(CC(=O)O)C(=C1)[N+](=O)[O-])F

Synthesis

  • Route1
    • null|null
      866209-62-3
    • ~53%
    • (2-Fluoro-6-nitro-phenyl)-acetic acid|CS-0341004
      136916-19-3

    References

    • Fensome, Andrew; Adams, William R.; Adams, Andrea L.; Berrodin, Tom J.; Cohen, Jeff; Huselton, Christine; Illenberger, Arthur; Kern, Jeffrey C.; Hudak, Valerie A.; Marella, Michael A.; Melenski, Edward G.; McComas, Casey C.; Mugford, Cheryl A.; Slayden, Ov D.; Yudt, Matthew; Zhang, Zhiming; Zhang, Puwen; Zhu, Yuan; Winneker, Richard C.; Wrobel, Jay E. Journal of Medicinal Chemistry, 2008 , vol. 51, # 6 p. 1861 - 1873
  • Route2

    References

    • Wyeth Patent: US2007/72897 A1, 2007 ; Location in patent: Page/Page column 64; 68 ;

Safety Information

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

Quality Control

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Computational Chemistry Data

  • TPSA   80.44
  • LogP   1.361
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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