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CS-W001157 4
Total: USD 88.00

3-Cyanonaphthalene-1-carboxylic acid

  • CAS No. 3839-18-7

  • Cat. No. CS-0263773
  • Molecule weight197.19
  • Purity≥97%
  • MDL No.None

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

3-Cyanonaphthalene-1-carboxylic acid|CS-0263773

Structure of 3839-18-7

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General Information

  • CAS No. 3839-18-7
  • Cat. No. CS-0263773
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₇NO₂
  • Molecular Weight 197.19
  • Synonym(s) Quinolinium,3-cyano-1-methyl-,iodide
  • SMILES O=C(C1=C2C=CC=CC2=CC(C#N)=C1)O

Synthesis

  • Route1
    • 4-Bromo-2-naphthonitrile|CS-0510902
      496835-91-7
    • null|null
      124-38-9
    • ~65%
    • 3-Cyanonaphthalene-1-carboxylic acid|CS-0263773
      3839-18-7

    References

    • Ashworth; Bowden; Dembofsky; Levin; Moss; Robinson; Szczur; Virica Organic Process Research and Development, 2003 , vol. 7, # 1 p. 74 - 81
  • Route2
    • null|null
      496788-91-1
    • ~%
    • 3-Cyanonaphthalene-1-carboxylic acid|CS-0263773
      3839-18-7

    References

    • Dewar,M.J.S.; Grisdale,P.J. Journal of the American Chemical Society, 1962 , vol. 84, p. 3541 - 3546
  • Route3
    • In-stock
      2-Methylpropylboronic acid|CS-W000978
      84110-40-7
    • null|null
      267663-95-6
    • ~0%
    • 3-Cyanonaphthalene-1-carboxylic acid|CS-0263773
      3839-18-7
    • null|null
      660404-69-3

    References

    • Albert, Jeffrey S.; Ohnmacht, Cyrus; Bernstein, Peter R.; Rumsey, William L.; Aharony, David; Alelyunas, Yun; Russell, Daniel J.; Potts, William; Sherwood, Scott A.; Shen, Lihong; Dedinas, Robert F.; Palmer, William E.; Russell, Keith Journal of Medicinal Chemistry, 2004 , vol. 47, # 3 p. 519 - 529

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   61.09
  • LogP   2.40968
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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