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Ethyl 4-cyano-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

  • CAS No. 1126479-87-5

  • Cat. No. CS-0177768
  • Purity≥95%
  • MDL No.None

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

Ethyl 4-cyano-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate|CS-0177768

Structure of 1126479-87-5

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General Information

  • CAS No. 1126479-87-5
  • Cat. No. CS-0177768
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₂₀BNO₄
  • Molecular Weight 301.15
  • Synonym(s) Benzoic acid, 4-cyano-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, ethyl ester
  • SMILES O=C(OCC)C1=CC=C(C#N)C(B2OC(C)(C)C(C)(C)O2)=C1

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-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P501

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Computational Chemistry Data

  • TPSA   68.55
  • LogP   2.03418
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   3

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