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CS-W001157 4
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3-Methyl-5-nitrobenzo[d]oxazol-2(3H)-one

  • CAS No. 101084-60-0

  • Cat. No. CS-0329897
  • Purity95+%
  • MDL No.None

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

3-Methyl-5-nitrobenzo[d]oxazol-2(3H)-one|CS-0329897

Structure of 101084-60-0

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General Information

  • CAS No. 101084-60-0
  • Cat. No. CS-0329897
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆N₂O₄
  • Molecular Weight 194.14
  • Synonym(s) 3-methyl-5-nitro-3H-benzoxazol-2-one
  • SMILES CN1C2=C(C=CC(=C2)[N+](=O)[O-])OC1=O

Synthesis

  • Route1

    References

    • Hunziker, Daniel; Lerner, Christian; Mueller, Werner; Sander, Ulrike Obst; Pflieger, Philippe; Waldmeier, Pius Patent: US2010/249124 A1, 2010 ; Location in patent: Page/Page column 64 ; US 20100249124 A1
  • Route2
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    • 3-Methyl-5-nitrobenzo[d]oxazol-2(3H)-one|CS-0329897
      101084-60-0

    References

    • Abdelaal; Kong; Bauer Journal of Heterocyclic Chemistry, 1992 , vol. 29, # 5 p. 1069 - 1076
  • Route3

    References

    • Abdelaal; Kong; Bauer Journal of Heterocyclic Chemistry, 1992 , vol. 29, # 5 p. 1069 - 1076

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-H320
Precautionary Statements : P264-P280-P302+P352-P305+P351+P338-P362

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Computational Chemistry Data

  • TPSA   78.28
  • LogP   1.0397
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   1

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