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4,4,5,5-Tetramethyl-2-(2-methyl-5-nitrophenyl)-1,3,2-dioxaborolane

  • CAS No. 957062-84-9

  • Cat. No. CS-0040118
  • Purity≥97%
  • MDL No.MFCD09027081

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

4,4,5,5-Tetramethyl-2-(2-methyl-5-nitrophenyl)-1,3,2-dioxaborolane|CS-0040118

Structure of 957062-84-9

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General Information

  • CAS No. 957062-84-9
  • Cat. No. CS-0040118
  • Purity ≥97%
  • MDL No. MFCD09027081
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₈BNO₄
  • Molecular Weight 263.10
  • Synonym(s) 2-Methyl-5-nitrophenylboronic Acid Pinacol Ester
  • SMILES O=[N+](C1=CC=C(C)C(B2OC(C)(C)C(C)(C)O2)=C1)[O-]

Synthesis

  • Route1

    References

    • Zhang, Jie; Wang, Xiaolong; Yu, Haitao; Ye, Jiahai Synlett, 2012 , vol. 23, # 9 p. 1394 - 1396

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 : 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   2.20242
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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