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CS-W001157 4
Total: USD 88.00

4-Cyanobicyclo[2.2.2]octane-1-carboxylic acid

  • CAS No. 15941-09-0

  • Cat. No. CS-0092251
  • Purity≥97%
  • MDL No.MFCD00967723

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

4-Cyanobicyclo[2.2.2]octane-1-carboxylic acid|CS-0092251

Structure of 15941-09-0

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General Information

  • CAS No. 15941-09-0
  • Cat. No. CS-0092251
  • Purity ≥97%
  • MDL No. MFCD00967723
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₃NO₂
  • Molecular Weight 179.22
  • Synonym(s) Bicyclo[2.2.2]octane-1-carboxylic acid,4-cyano
  • SMILES O=C(C1(CC2)CCC2(C#N)CC1)O

Synthesis

  • Route1
    • Ethyl 4-cyanobicyclo[2.2.2]octane-1-carboxylate|CS-0667254
      54829-94-6
    • ~%
    • In-stock
      4-Cyanobicyclo[2.2.2]octane-1-carboxylic acid|CS-0092251
      15941-09-0

    References

    • Roberts et al. Journal of the American Chemical Society, 1953 , vol. 75, p. 637,639
  • Route2
    • Diethyl bicyclo[2.2.2]octane-1,4-dicarboxylate|CS-0375679
      1659-75-2
    • ~%
    • In-stock
      4-Cyanobicyclo[2.2.2]octane-1-carboxylic acid|CS-0092251
      15941-09-0

    References

    • Roberts et al. Journal of the American Chemical Society, 1953 , vol. 75, p. 637,639

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

Quality Control

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Computational Chemistry Data

  • TPSA   61.09
  • LogP   1.93518
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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