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CS-W001157 4
Total: USD 88.00

8-Nitrochroman-4-one

  • CAS No. 90322-49-9

  • Cat. No. CS-0480108
  • Purity≥98%
  • MDL No.MFCD09744048

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

8-Nitrochroman-4-one|CS-0480108

Structure of 90322-49-9

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General Information

  • CAS No. 90322-49-9
  • Cat. No. CS-0480108
  • Purity ≥98%
  • MDL No. MFCD09744048
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇NO₄
  • Molecular Weight 193.16
  • Synonym(s) 8-Nitro-4-chromanone
  • SMILES O=[N+]([O-])C1C2=C(C=CC=1)C(=O)CCO2

Synthesis

  • Route1

    References

    • Hay, Michael P.; Hicks, Kevin O.; Pchalek, Karin; Lee, Ho H.; Blaser, Adrian; Pruijn, Frederik B.; Anderson, Robert F.; Shinde, Sujata S.; Wilson, William R.; Denny, William A. Journal of Medicinal Chemistry, 2008 , vol. 51, # 21 p. 6853 - 6865
  • Route2
    • 3-(2-Nitrophenoxy)propanoic acid|CS-0249221
      6336-59-0
    • ~%
    • 8-Nitrochroman-4-one|CS-0480108
      90322-49-9

    References

    • Chakravarti; Dutta Journal of the Indian Chemical Society, 1939 , vol. 16, p. 639,644
  • Route3
    • null|null
      88-75-5
    • ~%
    • 8-Nitrochroman-4-one|CS-0480108
      90322-49-9

    References

    • Chakravarti; Dutta Journal of the Indian Chemical Society, 1939 , vol. 16, p. 639,644

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
Precautionary Statements : P264-P270-P280-P302+P352-P330-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   69.44
  • LogP   1.56
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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