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CS-W001157 4
Total: USD 88.00

5-Nitro-1H-inden-2(3H)-one

  • CAS No. 116530-60-0

  • Cat. No. CS-B1154
  • Purity≥95%
  • MDL No.MFCD00598938

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

5-Nitro-1H-inden-2(3H)-one|CS-B1154

Structure of 116530-60-0

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General Information

  • CAS No. 116530-60-0
  • Cat. No. CS-B1154
  • Purity ≥95%
  • MDL No. MFCD00598938
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇NO₃
  • Molecular Weight 177.16
  • Synonym(s) 5-Nitro-2-indanone
  • SMILES O=C1CC2=CC([N+]([O-])=O)=CC=C2C1

Synthesis

  • Route1

    References

    • Nevy, John B.; Hawkinson, David C.; Blotny, Grzegorz; Yao, Xudong; Pollack, Ralph M. Journal of the American Chemical Society, 1997 , vol. 119, # 52 p. 12722 - 12726
  • Route2
    • null|null
      71720-52-0
    • ~%
    • In-stock
      5-Nitro-1H-inden-2(3H)-one|CS-B1154
      116530-60-0

    References

    • Chemische Berichte, , vol. 32, p. 28,31
  • Route3
    • null|null
      90649-71-1
    • ~%
    • In-stock
      5-Nitro-1H-inden-2(3H)-one|CS-B1154
      116530-60-0

    References

    • Chemische Berichte, , vol. 32, p. 28,31

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   60.21
  • LogP   1.2625
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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