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3-Nitro-1-(4-octylphenyl)propan-1-one

  • CAS No. 899822-97-0

  • Cat. No. CS-0570354
  • Molecule weight291.39
  • Purity≥98%
  • MDL No.None

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

3-Nitro-1-(4-octylphenyl)propan-1-one|CS-0570354

Structure of 899822-97-0

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General Information

  • CAS No. 899822-97-0
  • Cat. No. CS-0570354
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₇H₂₅NO₃
  • Molecular Weight 291.39
  • Synonym(s) 3-nitro-1-(4-octylphenyl)-preopanone
  • SMILES CCCCCCCCC1=CC=C(C=C1)C(=O)CC[N+](=O)[O-]

Synthesis

  • Route1

    References

    • MAPI PHARMA LTD.; MAROM, Ehud; MIZHIRITSKII, Michael; RUBNOV, Shai Patent: WO2012/56458 A2, 2012 ; Location in patent: Page/Page column 23 ;

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

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Computational Chemistry Data

  • TPSA   60.21
  • LogP   4.4391
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   11

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