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

  • CAS No. 936728-22-2

  • Cat. No. CS-0174384
  • Molecule weight266.07
  • Purity≥98%
  • MDL No.None

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

3-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid|CS-0174384

Structure of 936728-22-2

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General Information

  • CAS No. 936728-22-2
  • Cat. No. CS-0174384
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₆BFO₄
  • Molecular Weight 266.07
  • Synonym(s) 3-CARBOXY-5-FLUOROPHENYLBORONIC ACID, PINACOL ESTER
  • SMILES CC1(C(C)(OB(O1)C2=CC(F)=CC(C(O)=O)=C2)C)C

Synthesis

  • Route1

    References

    • Kurach, Pawel; Lulinski, Sergiusz; Serwatowski, Janusz European Journal of Organic Chemistry, 2008 , # 18 p. 3171 - 3178

Safety Information

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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-P405-P501

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Computational Chemistry Data

  • TPSA   55.76
  • LogP   1.8231
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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