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CS-W001157 4
Total: USD 88.00

(3,3,3-Trifluoropropyl)benzene

  • CAS No. 1579-80-2

  • Cat. No. CS-0582867
  • Molecule weight174.16
  • Purity≥98%
  • MDL No.None

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

(3,3,3-Trifluoropropyl)benzene|CS-0582867

Structure of 1579-80-2

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General Information

  • CAS No. 1579-80-2
  • Cat. No. CS-0582867
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉F₃
  • Molecular Weight 174.16
  • Synonym(s) 3,3,3-Trifluor-propylbenzol
  • SMILES C1=CC=C(C=C1)CCC(F)(F)F

Synthesis

  • Route1

    References

    • Xu, Jun; Xiao, Bin; Xie, Chuan-Qi; Luo, Dong-Fen; Liu, Lei; Fu, Yao Angewandte Chemie - International Edition, 2012 , vol. 51, # 50 p. 12551 - 12554 Angew. Chem., 2012 , vol. 124, # 50 p. 12719 - 12722,4
  • Route2
    • null|null
      460-37-7
    • null|null
      100-59-4
    • ~22%
    • (3,3,3-Trifluoropropyl)benzene|CS-0582867
      1579-80-2

    References

    • Janjetovic, Mario; Traeff, Annika M.; Ankner, Tobias; Wettergren, Jenny; Hilmersson, Goeran Chemical Communications, 2013 , vol. 49, # 18 p. 1826 - 1828
  • Route3
    • null|null
      107686-45-3
    • ~49%
    • (3,3,3-Trifluoropropyl)benzene|CS-0582867
      1579-80-2

    References

    • Shono; Kise; Oka Tetrahedron Letters, 1991 , vol. 32, # 45 p. 6567 - 6570

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-P305+P351+P338-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   0
  • LogP   3.1815
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   2

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