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CS-W001157 4
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2-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-5-(trifluoromethyl)benzonitrile

  • CAS No. 883898-98-4

  • Cat. No. CS-0174075
  • Molecule weight283.05
  • Purity≥95%
  • MDL No.None

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

2-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-5-(trifluoromethyl)benzonitrile|CS-0174075

Structure of 883898-98-4

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General Information

  • CAS No. 883898-98-4
  • Cat. No. CS-0174075
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₃BF₃NO₂
  • Molecular Weight 283.05
  • Synonym(s) 4-TRIFLUOROMETHYL-2-CYANOPHENYL BORONIC ACID NEOPENTYL GLYCOL ESTER
  • SMILES CC1(COB(OC1)C2=CC=C(C(F)(F)F)C=C2C#N)C

Synthesis

  • Route1
    • null|null
      5419-55-6
    • In-stock
      3-(Trifluoromethyl)benzonitrile|CS-0059154
      368-77-4
    • null|null
      126-30-7
    • ~99%
    • 2-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-5-(trifluoromethyl)benzonitrile|CS-0174075
      883898-98-4

    References

    • Lysen, Morten; Hansen, Henriette M.; Begtrup, Mikael; Kristensen, Jesper L. Journal of Organic Chemistry, 2006 , vol. 71, # 6 p. 2518 - 2520

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   42.25
  • LogP   2.34528
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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