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CS-W001157 4
Total: USD 88.00

6-Cyano-1-naphthoic acid

  • CAS No. 1975-47-9

  • Cat. No. CS-0464657
  • Molecule weight197.19
  • Purity≥98%
  • MDL No.None

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

6-Cyano-1-naphthoic acid|CS-0464657

Structure of 1975-47-9

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General Information

  • CAS No. 1975-47-9
  • Cat. No. CS-0464657
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₇NO₂
  • Molecular Weight 197.19
  • Synonym(s) 6-cyanonaphthalene-1-carboxylic acid
  • SMILES C1=CC2=C(C=CC(=C2)C#N)C(=C1)C(=O)O

Synthesis

  • Route1
    • Methyl 6-cyano-1-naphthoate|CS-0678345
      91804-22-7
    • ~82%
    • 6-Cyano-1-naphthoic acid|CS-0464657
      1975-47-9

    References

    • Astra Zeneca AB Patent: US6365602 B1, 2002 ; US 6365602 B1
  • Route2

    References

    • Dewar,M.J.S.; Grisdale,P.J. Journal of the American Chemical Society, 1962 , vol. 84, p. 3541 - 3546
  • Route3
    • 6-Bromo-1-naphthoic acid|CS-0315880
      51934-38-4
    • ~%
    • 6-Cyano-1-naphthoic acid|CS-0464657
      1975-47-9

    References

    • Dewar,M.J.S.; Grisdale,P.J. Journal of the American Chemical Society, 1962 , vol. 84, p. 3541 - 3546

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-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P363-P501

Quality Control

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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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