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CS-W001157 4
Total: USD 88.00

(Z)-4-amino-1,1,1-trifluorobut-3-en-2-one

  • CAS No. 120417-45-0

  • Cat. No. CS-0442011
  • Purity≥98%
  • MDL No.None

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

(Z)-4-amino-1,1,1-trifluorobut-3-en-2-one|CS-0442011

Structure of 120417-45-0

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General Information

  • CAS No. 120417-45-0
  • Cat. No. CS-0442011
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₄F₃NO
  • Molecular Weight 139.08
  • Synonym(s) 3-Buten-2-one, 4-amino-1,1,1-trifluoro-, (3Z)-
  • SMILES C(=C/N)/C(=O)C(F)(F)F

Synthesis

  • Route1
    • null|null
      59938-06-6
    • ~%
    • (Z)-4-amino-1,1,1-trifluorobut-3-en-2-one|CS-0442011
      120417-45-0

    References

    • Buback, Michael; Tost, Winfried; Huebsch, Thomas; Voss, Edgar; Tietze, Lutz F. Chemische Berichte, 1989 , vol. 122, p. 1179 - 1186
  • Route2
    • null|null
      127223-85-2
    • ~90%
    • (Z)-4-amino-1,1,1-trifluorobut-3-en-2-one|CS-0442011
      120417-45-0

    References

    • Hojo, Masaru; Masuda, Ryoichi; Okada, Etsuji; Sakaguchi, Syuhei; Narumiya, Hitoshi; Morimoto, Katsushi Tetrahedron Letters, 1989 , vol. 30, # 45 p. 6173 - 6176
  • Route3
    • null|null
      239437-47-9
    • ~%
    • (Z)-4-amino-1,1,1-trifluorobut-3-en-2-one|CS-0442011
      120417-45-0

    References

    • Yang, Xian-Jin; Zhang, Li-Si; Liu, Jin-Tao Tetrahedron, 2007 , vol. 63, # 25 p. 5643 - 5648

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302-H318
Precautionary Statements : P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P363-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   43.09
  • LogP   0.5902
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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