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CS-W001157 4
Total: USD 88.00

2-(4-Fluoro-2-nitrophenyl)acetic acid

  • CAS No. 39616-95-0

  • Cat. No. CS-0099217
  • Purity≥98%
  • MDL No.MFCD04108376

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

2-(4-Fluoro-2-nitrophenyl)acetic acid|CS-0099217

Structure of 39616-95-0

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General Information

  • CAS No. 39616-95-0
  • Cat. No. CS-0099217
  • Purity ≥98%
  • MDL No. MFCD04108376
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆FNO₄
  • Molecular Weight 199.14
  • Synonym(s) 4-Fluoro-2-nitrophenylacetic acid
  • SMILES O=C(O)CC1=CC=C(F)C=C1[N+]([O-])=O

Synthesis

  • Route1
    • 1,3-Dimethyl 2-(4-fluoro-2-nitrophenyl)propanedioate|CS-0725846
      147124-35-4
    • ~94%
    • In-stock
      2-(4-Fluoro-2-nitrophenyl)acetic acid|CS-0099217
      39616-95-0

    References

    • BOEHRINGER INGELHEIM PHARMA GMBH and CO. KG Patent: WO2004/26829 A2, 2004 ; Location in patent: Page/Page column 79 ; WO 2004/026829 A2
  • Route2

    References

    • Sun, Li; Tran, Ngoc; Tang, Flora; App, Harald; Hirth, Peter; McMahon, Gerald; Tang, Cho Journal of Medicinal Chemistry, 1998 , vol. 41, # 14 p. 2588 - 2603
  • Route3
    • In-stock
      4-Fluoro-1-methyl-2-nitrobenzene|CS-W016254
      446-10-6
    • null|null
      95-92-1
    • ~%
    • In-stock
      2-(4-Fluoro-2-nitrophenyl)acetic acid|CS-0099217
      39616-95-0

    References

    • Protiva; Sindelar; Sedivy; Metysova Collection of Czechoslovak Chemical Communications, 1979 , vol. 44, # 7 p. 2108 - 2123

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-P280-P302+P352

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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