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CS-W001157 4
Total: USD 88.00

Methyl 4-hydroxy-3-methoxy-5-nitrobenzoate

  • CAS No. 42590-00-1

  • Cat. No. CS-0046878
  • Purity≥98%
  • MDL No.MFCD06203667

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

Methyl 4-hydroxy-3-methoxy-5-nitrobenzoate|CS-0046878

Structure of 42590-00-1

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General Information

  • CAS No. 42590-00-1
  • Cat. No. CS-0046878
  • Purity ≥98%
  • MDL No. MFCD06203667
  • Storage RT, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉NO₆
  • Molecular Weight None
  • Synonym(s) Methyl 4-hydroxy-5-nitro-m-anisate
  • SMILES O=C(C1=CC(OC)=C(C([N+]([O-])=O)=C1)O)OC

Synthesis

  • Route1

    References

    • Wang, Lin; Gong, Jianxian; Deng, Lujiang; Xiang, Zheng; Chen, Zhixing; Wang, Yuefan; Chen, Jiahua; Yang, Zhen Organic Letters, 2009 , vol. 11, # 8 p. 1809 - 1812
  • Route2
    • null|null
      67-56-1
    • In-stock
      4-Hydroxy-3-methoxy-5-nitrobenzoic acid|CS-0010503
      15785-54-3
    • ~%
    • In-stock
      Methyl 4-hydroxy-3-methoxy-5-nitrobenzoate|CS-0046878
      42590-00-1

    References

    • Klemenc Monatshefte fuer Chemie, 1912 , vol. 33, p. 389
  • Route3
    • In-stock
      Methyl vanillate|CS-D0814
      3943-74-6
    • null|null
      60-29-7
    • null|null
      7697-37-2
    • ~%
    • In-stock
      Methyl 4-hydroxy-3-methoxy-5-nitrobenzoate|CS-0046878
      42590-00-1

    References

    • Klemenc Monatshefte fuer Chemie, 1914 , vol. 35, p. 95

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   98.9
  • LogP   1.0956
  • H_Acceptors   6
  • H_Donors   1
  • Rotatable_Bonds   3

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