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Methyl 2-methoxy-6-nitrobenzoate

  • CAS No. 77901-52-1

  • Cat. No. CS-W003794
  • Molecule weight211.17
  • Purity≥95%
  • MDL No.MFCD11656789

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

Methyl 2-methoxy-6-nitrobenzoate|CS-W003794

Structure of 77901-52-1

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General Information

  • CAS No. 77901-52-1
  • Cat. No. CS-W003794
  • Purity ≥95%
  • MDL No. MFCD11656789
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉NO₅
  • Molecular Weight 211.17
  • Synonym(s) 2-Methoxy-6-nitro-benzoesaeure-methylester
  • SMILES O=C(OC)C1=C([N+]([O-])=O)C=CC=C1OC

Synthesis

  • Route1

    References

    • Boehringer Ingelheim (Canada) Ltd. Patent: US2004/106791 A1, 2004 ; Location in patent: Page 15 ;
  • Route2
    • Methyl 2,6-dinitrobenzoate|CS-0452339
      42087-82-1
    • null|null
      124-41-4
    • ~72%
    • Methyl 2-methoxy-6-nitrobenzoate|CS-W003794
      77901-52-1

    References

    • Warrener, Ronald N.; Russel, Richard A.; Marcuccio, Sebastian M. Australian Journal of Chemistry, 1980 , vol. 33, # 12 p. 2777 - 2779
  • Route3
    • null|null
      606-20-2
    • ~%
    • Methyl 2-methoxy-6-nitrobenzoate|CS-W003794
      77901-52-1

    References

    • Australian Journal of Chemistry, , vol. 33, # 12 p. 2777 - 2779

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   78.67
  • LogP   1.39
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   3

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