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CS-W001157 4
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1-Nitropropan-2-one

  • CAS No. 10230-68-9

  • Cat. No. CS-0440099
  • Molecule weight103.08
  • Purity≥98%
  • MDL No.None

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

1-Nitropropan-2-one|CS-0440099

Structure of 10230-68-9

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General Information

  • CAS No. 10230-68-9
  • Cat. No. CS-0440099
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₃H₅NO₃
  • Molecular Weight 103.08
  • Synonym(s) 2-Propanone, 1-nitro-
  • SMILES CC(=O)C[N+](=O)[O-]

Synthesis

  • Route1

    References

    • Tletze; Boehnke; Dietz Organic Letters, 2009 , vol. 11, # 13 p. 2948 - 2950
  • Route2
    • 1-(1H-Pyrazol-1-yl)ethan-1-one|CS-0171650
      10199-64-1
    • null|null
      75-52-5
    • ~%
    • 1-Nitropropan-2-one|CS-0440099
      10230-68-9

    References

    • N.V. ORGANON Patent: WO2006/117368 A1, 2006 ; Location in patent: Page/Page column 68 ; WO 2006/117368 A1
  • Route3
    • 1-Nitropropan-2-ol|CS-0727558
      3156-73-8
    • ~92%
    • 1-Nitropropan-2-one|CS-0440099
      10230-68-9

    References

    • Pascual, Alfons Helvetica Chimica Acta, 1991 , vol. 74, # 3 p. 531 - 542

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

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Computational Chemistry Data

  • TPSA   60.21
  • LogP   -0.1479
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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