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CS-W001157 4
Total: USD 88.00

2-(Trichloromethyl)-3,4-dihydroquinazolin-4-one

  • CAS No. 5558-95-2

  • Cat. No. CS-0256482
  • Molecule weight263.51
  • Purity≥97%
  • MDL No.None

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

2-(Trichloromethyl)-3,4-dihydroquinazolin-4-one|CS-0256482

Structure of 5558-95-2

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General Information

  • CAS No. 5558-95-2
  • Cat. No. CS-0256482
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₅Cl₃N₂O
  • Molecular Weight 263.51
  • Synonym(s) 2-Trichloromethyl-4(3H)-quinazolinone
  • SMILES C1=CC=C2C(=C1)C(=NC(=N2)C(Cl)(Cl)Cl)O

Synthesis

  • Route1
    • 4-Chloro-2-(trichloromethyl)quinazoline|CS-0256510
      3137-63-1
    • ~70%
    • 2-(Trichloromethyl)-3,4-dihydroquinazolin-4-one|CS-0256482
      5558-95-2

    References

    • Kieffer, Charline; Verhaeghe, Pierre; Primas, Nicolas; Castera-Ducros, Caroline; Gellis, Armand; Rosas, Roselyne; Rault, Sylvain; Rathelot, Pascal; Vanelle, Patrice Tetrahedron, 2013 , vol. 69, # 14 p. 2987 - 2995
  • Route2
    • null|null
      74497-02-2
    • ~%
    • 2-(Trichloromethyl)-3,4-dihydroquinazolin-4-one|CS-0256482
      5558-95-2

    References

    • Chemistry of Heterocyclic Compounds (New York, NY, United States), , vol. 27, # 5 p. 559 Khimiya Geterotsiklicheskikh Soedinenii, , vol. 27, # 5 p. 698 - 699
  • Route3
    • null|null
      137538-47-7
    • ~%
    • 2-(Trichloromethyl)-3,4-dihydroquinazolin-4-one|CS-0256482
      5558-95-2

    References

    • Chemistry of Heterocyclic Compounds (New York, NY, United States), , vol. 27, # 5 p. 559 Khimiya Geterotsiklicheskikh Soedinenii, , vol. 27, # 5 p. 698 - 699

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   46.01
  • LogP   3.1621
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   0

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