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CS-W001157 4
Total: USD 88.00

2,5-Dimethoxy-3-nitrobenzoic acid

  • CAS No. 17894-26-7

  • Cat. No. CS-0464437
  • Purity≥98%
  • MDL No.MFCD00017022

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

2,5-Dimethoxy-3-nitrobenzoic acid|CS-0464437

Structure of 17894-26-7

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General Information

  • CAS No. 17894-26-7
  • Cat. No. CS-0464437
  • Purity ≥98%
  • MDL No. MFCD00017022
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉NO₆
  • Molecular Weight 227.17
  • Synonym(s) 3-NITROGENTISIC ACID DIMETHYL ETHER
  • SMILES COC1=CC(=C(C(=C1)[N+](=O)[O-])OC)C(=O)O

Synthesis

  • Route1
    • null|null
      17894-27-8
    • ~54%
    • 2,5-Dimethoxy-3-nitrobenzoic acid|CS-0464437
      17894-26-7

    References

    • Yan, Yan; Qin, Bo; Ren, Changliang; Yip, Yeow Kwan; Ye, Ruijuan; Zeng, Huaqiang; Chen, Xiuying; Su, Haibin; Zhang, Dawei Journal of the American Chemical Society, 2010 , vol. 132, # 16 p. 5869 - 5879
  • Route2

    References

    • Tapia, Ricardo A.; Centella, Cesar R.; Valderrama, Jaime A. Synthetic Communications, 1999 , vol. 29, # 12 p. 2163 - 2168
  • Route3
    • null|null
      74422-90-5
    • ~%
    • 2,5-Dimethoxy-3-nitrobenzoic acid|CS-0464437
      17894-26-7

    References

    • Journal of the Chemical Society, , vol. 127, p. 2003

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   98.9
  • LogP   1.3102
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   4

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