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CS-W001157 4
Total: USD 88.00

5-Methyl-6-nitrobenzo[d][1,3]dioxole

  • CAS No. 32996-27-3

  • Cat. No. CS-0042958
  • Purity≥97%
  • MDL No.MFCD00229114

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

5-Methyl-6-nitrobenzo[d][1,3]dioxole|CS-0042958

Structure of 32996-27-3

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General Information

  • CAS No. 32996-27-3
  • Cat. No. CS-0042958
  • Purity ≥97%
  • MDL No. MFCD00229114
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇NO₄
  • Molecular Weight 181.15
  • Synonym(s) 5-Methyl-6-nitro-1,3-benzodioxole
  • SMILES O=[N+](C1=C(C)C=C2OCOC2=C1)[O-]

Synthesis

  • Route1
    • null|null
      7145-99-5
    • ~87%
    • 5-Methyl-6-nitrobenzo[d][1,3]dioxole|CS-0042958
      32996-27-3

    References

    • MITSUBISHI TANABE PHARMA CORPORATION Patent: US2012/196824 A1, 2012 ;
  • Route2
    • null|null
      120-57-0
    • ~%
    • 5-Methyl-6-nitrobenzo[d][1,3]dioxole|CS-0042958
      32996-27-3

    References

    • Merck and Co., Inc. Patent: US4144341 A1, 1979 ;
  • Route3
    • null|null
      15862-98-3
    • ~%
    • 5-Methyl-6-nitrobenzo[d][1,3]dioxole|CS-0042958
      32996-27-3

    References

    • Since, Marc; Khoumeri, Omar; Verhaeghe, Pierre; Maillard-Boyer, Martine; Terme, Thierry; Vanelle, Patrice Tetrahedron Letters, 2011 , vol. 52, # 29 p. 3810 - 3813

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   61.6
  • LogP   1.63192
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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