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3-Fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

  • CAS No. 624741-47-5

  • Cat. No. CS-W012686
  • Purity≥97%
  • MDL No.MFCD18729920

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

3-Fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile|CS-W012686

Structure of 624741-47-5

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General Information

  • CAS No. 624741-47-5
  • Cat. No. CS-W012686
  • Purity ≥97%
  • MDL No. MFCD18729920
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₅BFNO₂
  • Molecular Weight 247.08
  • Synonym(s) 3-Fluoro-2-(tetraMethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
  • SMILES N#CC1=CC=CC(F)=C1B2OC(C)(C)C(C)(C)O2

Synthesis

  • Route1

    References

    • MERCK SHARP and DOHME LIMITED Patent: WO2003/93272 A1, 2003 ; Location in patent: Page/Page column 37 ; WO 03/093272 A1

Safety Information

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GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H315-H319-H335
Precautionary Statements : P264-P270-P330-P405-P501

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Computational Chemistry Data

  • TPSA   42.25
  • LogP   1.99658
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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