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CS-W001157 4
Total: USD 88.00

6-Nitrobenzo[c][1,2]oxaborol-1(3H)-ol

  • CAS No. 118803-40-0

  • Cat. No. CS-0100860
  • Purity≥95%
  • MDL No.MFCD04115657

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

6-Nitrobenzo[c][1,2]oxaborol-1(3H)-ol|CS-0100860

Structure of 118803-40-0

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General Information

  • CAS No. 118803-40-0
  • Cat. No. CS-0100860
  • Purity ≥95%
  • MDL No. MFCD04115657
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆BNO₄
  • Molecular Weight 178.94
  • Synonym(s) 2-Hydroxymethyl-5-nitrobenzeneboronic acid hemiester
  • SMILES O=[N+](C1=CC=C2COB(O)C2=C1)[O-]

Synthesis

  • Route1

    References

    • Journal of the American Chemical Society, , vol. 82, p. 2172 - 2175

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-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   72.6
  • LogP   -0.1875
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   1

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