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CS-W001157 4
Total: USD 88.00

4-Ethoxycarbonyl-2-nitrophenylboronic acid

  • CAS No. 5785-70-6

  • Cat. No. CS-W010302
  • Purity≥97%
  • MDL No.MFCD02179460

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

4-Ethoxycarbonyl-2-nitrophenylboronic acid|CS-W010302

Structure of 5785-70-6

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General Information

  • CAS No. 5785-70-6
  • Cat. No. CS-W010302
  • Purity ≥97%
  • MDL No. MFCD02179460
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₀BNO₆
  • Molecular Weight 238.99
  • Synonym(s) 4-Ethoxycarbonyl-2-nitrobenzeneboronic Acid (contains varying amounts of Anhydride)
  • SMILES CCOC(=O)C1=CC(=C(C=C1)B(O)O)[N+]([O-])=O

Synthesis

  • Route1
    • Ethyl 4-iodo-3-nitrobenzoate|CS-0361568
      57362-77-3
    • ~74%
    • 4-Ethoxycarbonyl-2-nitrophenylboronic acid|CS-W010302
      5785-70-6

    References

    • Collibee, Scott E.; Yu, Jiaxin Tetrahedron Letters, 2005 , vol. 46, # 26 p. 4453 - 4455

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

Quality Control

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Computational Chemistry Data

  • TPSA   109.9
  • LogP   -0.5487
  • H_Acceptors   6
  • H_Donors   2
  • Rotatable_Bonds   4

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