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CS-W001157 4
Total: USD 88.00

4-Methyl-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)benzoic acid

  • CAS No. 515131-35-8

  • Cat. No. CS-W006046
  • Purity≥98%
  • MDL No.MFCD09261433

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

4-Methyl-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)benzoic acid|CS-W006046

Structure of 515131-35-8

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General Information

  • CAS No. 515131-35-8
  • Cat. No. CS-W006046
  • Purity ≥98%
  • MDL No. MFCD09261433
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₉BO₄
  • Molecular Weight 262.11
  • Synonym(s) 4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
  • SMILES CC1=C(C=C(C(=O)O)C=C1)B2OC(C(O2)(C)C)(C)C

Synthesis

  • Route1

    References

    • Kyowa Hakko Kirin Co., Ltd. Patent: EP2269993 A1, 2011 ; Location in patent: Page/Page column 53 ;

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

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Computational Chemistry Data

  • TPSA   55.76
  • LogP   1.99242
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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