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CS-W001157 4
Total: USD 88.00

3-Nitroadamantane-1-carboxylic acid

  • CAS No. 42711-76-2

  • Cat. No. CS-0366035
  • Purity≥98%
  • MDL No.None

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

3-Nitroadamantane-1-carboxylic acid|CS-0366035

Structure of 42711-76-2

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General Information

  • CAS No. 42711-76-2
  • Cat. No. CS-0366035
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₅NO₄
  • Molecular Weight 225.24
  • Synonym(s) 3-nitroadamantanecarboxylic acid
  • SMILES C1C2CC3(CC1CC(C2)(C3)[N+](=O)[O-])C(=O)O

Synthesis

  • Route1

    References

    • Daicel Chemical Industries, Ltd.; Ishii, Yasutaka Patent: EP897747 A1, 1999 ;
  • Route2

    References

    • Suzuki, Hitomi; Nonoyama, Nobuaki Journal of the Chemical Society - Perkin Transactions 1, 1997 , # 20 p. 2965 - 2971

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   80.44
  • LogP   1.6867
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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