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CS-W001157 4
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2-(3-Fluoro-4-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

  • CAS No. 939968-60-2

  • Cat. No. CS-0101247
  • Purity≥96%
  • MDL No.MFCD12026073

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

2-(3-Fluoro-4-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane|CS-0101247

Structure of 939968-60-2

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General Information

  • CAS No. 939968-60-2
  • Cat. No. CS-0101247
  • Purity ≥96%
  • MDL No. MFCD12026073
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₅BFNO₄
  • Molecular Weight 267.06
  • Synonym(s) 3-Fluoro-4-nitrophenylboronic acid,pinacol ester
  • SMILES CC1(C)C(C)(C)OB(C2=CC=C([N+]([O-])=O)C(F)=C2)O1

Synthesis

  • Route1

    References

    • ABBOTT LABORATORIES Patent: WO2008/63287 A2, 2008 ; Location in patent: Page/Page column 54 ;
  • Route2

    References

    • Qiu, Di; Wang, Shuai; Tang, Shengbo; Meng, He; Jin, Liang; Mo, Fanyang; Zhang, Yan; Wang, Jianbo Journal of Organic Chemistry, 2014 , vol. 79, # 5 p. 1979 - 1988

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   61.6
  • LogP   2.0331
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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