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CS-W001157 4
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7-Nitro-3H-2-benzofuran-1-one

  • CAS No. 42760-46-3

  • Cat. No. CS-0060621
  • Molecule weight179.13
  • Purity95+%
  • MDL No.None

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

7-Nitro-3H-2-benzofuran-1-one|CS-0060621

Structure of 42760-46-3

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General Information

  • CAS No. 42760-46-3
  • Cat. No. CS-0060621
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅NO₄
  • Molecular Weight 179.13
  • Synonym(s) 7-Nitroisobenzofuran-1(3H)-one
  • SMILES C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)OC2

Synthesis

  • Route1

    References

    • Boykin, David W.; Baumstark, Alfons L.; Kayser, Margaret M.; Soucy, Chantal M. Canadian Journal of Chemistry, 1987 , vol. 65, p. 1214 - 1217
  • Route2
    • 2-(Methoxycarbonyl)-3-nitrobenzoic acid|CS-0322664
      6744-85-0
    • ~%
    • 7-Nitro-3H-2-benzofuran-1-one|CS-0060621
      42760-46-3

    References

    • Sugimoto; Sakamoto; Fujino; Takashima; Ishikawa Chemical and Pharmaceutical Bulletin, 1985 , vol. 33, # 7 p. 2809 - 2820

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   69.44
  • LogP   1.2652
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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