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CS-W001157 4
Total: USD 88.00

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

  • CAS No. 890839-31-3

  • Cat. No. CS-0061092
  • Purity≥97%
  • MDL No.None

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

2-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid|CS-0061092

Structure of 890839-31-3

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General Information

  • CAS No. 890839-31-3
  • Cat. No. CS-0061092
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₆BClO₄
  • Molecular Weight 282.53
  • Synonym(s) 5-Chloro-4-methoxycarbonyl-2-fluorophenylboronic acid pinacol ester
  • SMILES CC1(C)C(C)(C)OB(C2=CC(=C(C=C2)C(=O)O)Cl)O1

Synthesis

  • Route1

    References

    • SMITHKLINE BEECHAM CORPORATION Patent: WO2006/63167 A1, 2006 ; Location in patent: Page/Page column 31 ; WO 2006/063167 A1

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 : P233-P260-P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P340-P362-P403-P405-P501

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Computational Chemistry Data

  • TPSA   55.76
  • LogP   2.3374
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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