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CS-W001157 4
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6-Cyano-2-naphthyl trifluoromethanesulfonate

  • CAS No. 145369-29-5

  • Cat. No. CS-0187213
  • Purity≥95%
  • MDL No.None

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

6-Cyano-2-naphthyl trifluoromethanesulfonate|CS-0187213

Structure of 145369-29-5

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General Information

  • CAS No. 145369-29-5
  • Cat. No. CS-0187213
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₆F₃NO₃S
  • Molecular Weight 301.24
  • Synonym(s) Trifluoro-methanesulfonic acid 6-cyano-phthalen-2-yl ester
  • SMILES C1=CC2=CC(=CC=C2C=C1C#N)OS(=O)(=O)C(F)(F)F

Synthesis

  • Route1

    References

    • Yamaji, Minoru; Maeda, Hajime; Minamida, Keita; Maeda, Tomohiro; Asai, Kengo; Konishi, Gen-Ichi; Mizuno, Kazuhiko Research on Chemical Intermediates, 2013 , vol. 39, # 1 p. 321 - 345
  • Route2

    References

    • Array Biopharma Inc. Patent: US6221914 B1, 2001 ; US 6221914 B1
  • Route3

    References

    • Heim, Ralf; Lucas, Simon; Grombein, Cornelia M.; Ries, Christina; Schewe, Katarzyna E.; Negri, Matthias; Mueller-Vieira, Ursula; Birk, Barbara; Hartmann, Rolf W. Journal of Medicinal Chemistry, 2008 , vol. 51, # 16 p. 5064 - 5074

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

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Computational Chemistry Data

  • TPSA   67.16
  • LogP   2.93988
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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