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CS-W001157 4
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N-methyl-6-nitrobenzo[d]oxazol-2-amine

  • CAS No. 78749-80-1

  • Cat. No. CS-0545377
  • Molecule weight193.16
  • Purity≥98%
  • MDL No.None

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

N-methyl-6-nitrobenzo[d]oxazol-2-amine|CS-0545377

Structure of 78749-80-1

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General Information

  • CAS No. 78749-80-1
  • Cat. No. CS-0545377
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇N₃O₃
  • Molecular Weight 193.16
  • Synonym(s) N-methyl-6-nitro-1,3-benzoxazol-2-amine
  • SMILES CNC1=NC2=C(O1)C=C(C=C2)[N+](=O)[O-]

Synthesis

  • Route1
    • N-Methylbenzo[d]oxazol-2-amine|CS-0215663
      19776-98-8
    • ~%
    • N-methyl-6-nitrobenzo[d]oxazol-2-amine|CS-0545377
      78749-80-1

    References

    • SmithKline Beecham p.l.c. Patent: US6699879 B1, 2004 ; Location in patent: Page/Page column 24-25 ;
  • Route2
    • null|null
      34725-26-3
    • ~89%
    • N-methyl-6-nitrobenzo[d]oxazol-2-amine|CS-0545377
      78749-80-1

    References

    • Simov, D.; Davidkov, K. Chemistry of Heterocyclic Compounds (New York, NY, United States), 1981 , vol. 17, # 5 p. 437 - 440 Khimiya Geterotsiklicheskikh Soedinenii, 1981 , # 5 p. 604 - 607

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

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Computational Chemistry Data

  • TPSA   81.2
  • LogP   1.7777
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   2

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