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CS-W001157 4
Total: USD 88.00

Methyl 3,4,5-trimethoxy-2-nitrobenzoate

  • CAS No. 5081-42-5

  • Cat. No. CS-0308698
  • Molecule weight271.22
  • Purity≥98%
  • MDL No.None

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

Methyl 3,4,5-trimethoxy-2-nitrobenzoate|CS-0308698

Structure of 5081-42-5

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General Information

  • CAS No. 5081-42-5
  • Cat. No. CS-0308698
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₃NO₇
  • Molecular Weight 271.22
  • Synonym(s) Methyl 2-Nitro-3,4,5-Trimethoxybenzoate
  • SMILES COC1=C(C(=C(C(=C1)C(=O)OC)[N+](=O)[O-])OC)OC

Synthesis

  • Route1

    References

    • Tanemura, Kiyoshi; Suzuki, Tsuneo; Nishida, Yoko; Satsumabayashi, Koko; Horaguchi, Takaaki Journal of Chemical Research - Part S, 2003 , # 8 p. 497 - 499
  • Route2

    References

    • Zhang, Zhichao; Liang, Xiaomeng; Li, Xiangqian; Song, Ting; Chen, Qingbin; Sheng, Hongkun European Journal of Medicinal Chemistry, 2013 , vol. 69, p. 711 - 718
  • Route3
    • 3,4,5-Trimethoxy-2-nitrobenzoic acid|CS-0206148
      66907-52-6
    • ~%
    • Methyl 3,4,5-trimethoxy-2-nitrobenzoate|CS-0308698
      5081-42-5

    References

    • Pollak; Feldscharek Monatshefte fuer Chemie, 1908 , vol. 29, p. 151

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

Quality Control

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Computational Chemistry Data

  • TPSA   97.13
  • LogP   1.4072
  • H_Acceptors   7
  • H_Donors   0
  • Rotatable_Bonds   5

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