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CS-W001157 4
Total: USD 88.00

2-Mercapto-6-phenyl-4-(trifluoromethyl)nicotinonitrile

  • CAS No. 104960-49-8

  • Cat. No. CS-0325361
  • Molecule weight280.27
  • Purity≥97%
  • MDL No.None

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

2-Mercapto-6-phenyl-4-(trifluoromethyl)nicotinonitrile|CS-0325361

Structure of 104960-49-8

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General Information

  • CAS No. 104960-49-8
  • Cat. No. CS-0325361
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₇F₃N₂S
  • Molecular Weight 280.27
  • Synonym(s) 6-phenyl-2-sulfanylidene-4-(trifluoromethyl)-3H-pyridine-3-carbonitrile
  • SMILES C1=CC=C(C=C1)C2=NC(=C(C#N)C(=C2)C(F)(F)F)S

Synthesis

  • Route1

    References

    • Rodinovskaya, L. A.; Sharanin, Yu. A.; Litvinov, V. P.; Shestopalov, A. M.; Promonenkov, V. K.; et al. Journal of Organic Chemistry USSR (English Translation), 1985 , vol. 21, # 11 p. 2230 - 2235 Zhurnal Organicheskoi Khimii, 1985 , vol. 21, # 11 p. 2439 - 2444
  • Route2

    References

    • Rodinovskaya, L. A.; Sharanin, Yu. A.; Litvinov, V. P.; Shestopalov, A. M.; Promonenkov, V. K.; et al. Journal of Organic Chemistry USSR (English Translation), 1985 , vol. 21, # 11 p. 2230 - 2235 Zhurnal Organicheskoi Khimii, 1985 , vol. 21, # 11 p. 2439 - 2444
  • Route3

    References

    • Guttsait, A. V.; Belyakov, S. V.; Mishnev, A. F.; Bleidelis, Ya. Ya.; Gudrinietse, E. Yu. Chemistry of Heterocyclic Compounds (New York, NY, United States), 1987 , vol. 23, # 9 p. 986 - 989 Khimiya Geterotsiklicheskikh Soedinenii, 1987 , # 9 p. 1233 - 1237

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   36.68
  • LogP   3.92778
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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