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CS-W001157 4
Total: USD 88.00

3-(1-Nitrocyclohexyl)propanoic acid

  • CAS No. 76877-76-4

  • Cat. No. CS-0326427
  • Purity≥98%
  • MDL No.None

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

3-(1-Nitrocyclohexyl)propanoic acid|CS-0326427

Structure of 76877-76-4

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General Information

  • CAS No. 76877-76-4
  • Cat. No. CS-0326427
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₅NO₄
  • Molecular Weight 201.22
  • Synonym(s) 3-(1-nitrocyclohexyl) propionic acid
  • SMILES C1CCC(CC1)(CCC(=O)O)[N+](=O)[O-]

Synthesis

  • Route1
    • null|null
      5498-73-7
    • ~96%
    • 3-(1-Nitrocyclohexyl)propanoic acid|CS-0326427
      76877-76-4

    References

    • SCM Corporation Patent: US4304942 A1, 1981 ;
  • Route2
    • null|null
      1122-60-7
    • ~%
    • 3-(1-Nitrocyclohexyl)propanoic acid|CS-0326427
      76877-76-4

    References

    • Mimura; Hayashida; Nomiyama; Ikegami; Iida; Tamura; Hiyama; Ohishi Chemical and Pharmaceutical Bulletin, 1993 , vol. 41, # 11 p. 1971 - 1986

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   80.44
  • LogP   1.8308
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   4

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