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CS-W001157 4
Total: USD 88.00

2-Formyl-4-nitrophenoxyacetic acid

  • CAS No. 6965-69-1

  • Cat. No. CS-M3474
  • Purity≥97%
  • MDL No.MFCD00024502

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

2-Formyl-4-nitrophenoxyacetic acid|CS-M3474

Structure of 6965-69-1

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General Information

  • CAS No. 6965-69-1
  • Cat. No. CS-M3474
  • Purity ≥97%
  • MDL No. MFCD00024502
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇NO₆
  • Molecular Weight None
  • Synonym(s) 2-(2-Formyl-4-nitrophenoxy)acetic acid; 4-Nitro-2-formylphenoxyacetic acid; NSC 63348; 2-(2-Formyl-4-nitrophenoxy)ethanoic acid, 2-(Carboxymethoxy)-5-nitrobenzaldehyde
  • SMILES O=CC1=CC([N+]([O-])=O)=CC=C1OCC(O)=O

Synthesis

  • Route1

    References

    • PFIZER LIMITED; PFIZER INC. Patent: WO2005/82866 A2, 2005 ; Location in patent: Page/Page column 96 ; WO 2005/082866 A2
  • Route2
    • null|null
      24582-00-1
    • ~98%
    • In-stock
      2-Formyl-4-nitrophenoxyacetic acid|CS-M3474
      6965-69-1

    References

    • William, Anthony D.; Lee, Angeline C.-H.; Goh, Kee Chuan; Blanchard, Stephanie; Poulsen, Anders; Teo, Ee Ling; Nagaraj, Harish; Lee, Chai Ping; Wang, Haishan; Williams, Meredith; Sun, Eric T.; Hu, Changyong; Jayaraman, Ramesh; Pasha, Mohammed Khalid; Ethirajulu, Kantharaj; Wood, Jeanette M.; Dymock, Brian W. Journal of Medicinal Chemistry, 2012 , vol. 55, # 1 p. 169 - 196
  • Route3

    References

    • Hullar,T.L.; Failla,D.L. Journal of Medicinal Chemistry, 1969 , vol. 12, # 3 p. 420 - 424

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   106.74
  • LogP   0.8707
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   5

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