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CS-W001157 4
Total: USD 88.00

3-Methyl-5-nitrobenzo[d]isoxazole

  • CAS No. 63770-48-9

  • Cat. No. CS-0102753
  • Purity≥97%
  • MDL No.None

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

3-Methyl-5-nitrobenzo[d]isoxazole|CS-0102753

Structure of 63770-48-9

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General Information

  • CAS No. 63770-48-9
  • Cat. No. CS-0102753
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆N₂O₃
  • Molecular Weight 178.14
  • Synonym(s) 1,2-BENZISOXAZOLE, 3-METHYL-5-NITRO-
  • SMILES O=[N+](C1=CC2=C(ON=C2C)C=C1)[O-]

Synthesis

  • Route1
    • null|null
      1247949-39-8
    • ~97%
    • In-stock
      3-Methyl-5-nitrobenzo[d]isoxazole|CS-0102753
      63770-48-9

    References

    • Chen, Cheng-Yi; Andreani, Teresa; Li, Hongmei Organic Letters, 2011 , vol. 13, # 23 p. 6300 - 6303
  • Route2

    References

    • BASF Aktiengesellschaft Patent: US6355796 B1, 2002 ;
  • Route3
    • null|null
      54595-48-1
    • ~63%
    • In-stock
      3-Methyl-5-nitrobenzo[d]isoxazole|CS-0102753
      63770-48-9

    References

    • Udd, Sandra; Jokela, Reija; Franzen, Robert; Tois, Jan Tetrahedron Letters, 2010 , vol. 51, # 7 p. 1030 - 1033

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   69.17
  • LogP   2.04442
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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