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CS-W001157 4
Total: USD 88.00

2-(4-Methoxy-3-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

  • CAS No. 554411-20-0

  • Cat. No. CS-0175554
  • Purity≥96%
  • MDL No.None

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

2-(4-Methoxy-3-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane|CS-0175554

Structure of 554411-20-0

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General Information

  • CAS No. 554411-20-0
  • Cat. No. CS-0175554
  • Purity ≥96%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₈BNO₅
  • Molecular Weight 279.10
  • Synonym(s) 4-METHOXY-3-NITROPHENYLBORONIC ACID, PINACOL ESTER
  • SMILES CC1(C(C)(OB(O1)C2=CC([N+]([O-])=O)=C(OC)C=C2)C)C

Synthesis

  • Route1

    References

    • US2004/235842 A1, ; Page 9 ; US 20040235842 A1

Safety Information

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GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 3261
Class : 8
Packing Group : Ⅲ
Hazard Statements : H314
Precautionary Statements : P260-P264-P280-P301+P330+P331-P304+P340-P363-P405-P501

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Computational Chemistry Data

  • TPSA   70.83
  • LogP   1.9026
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   3

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