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CS-W001157 4
Total: USD 88.00

(1-Isobutyl-1H-pyrazol-5-yl)boronic acid

  • CAS No. 847818-64-8

  • Cat. No. CS-0154221
  • Molecule weight168.00
  • Purity≥96%
  • MDL No.MFCD12407379

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

(1-Isobutyl-1H-pyrazol-5-yl)boronic acid|CS-0154221

Structure of 847818-64-8

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General Information

  • CAS No. 847818-64-8
  • Cat. No. CS-0154221
  • Purity ≥96%
  • MDL No. MFCD12407379
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₃BN₂O₂
  • Molecular Weight 168.00
  • Synonym(s) 1-Isobutyl-1H-pyrazole-5-boronic acid
  • SMILES CC(C)CN1C(=CC=N1)B(O)O

Synthesis

  • Route1
    • 1-Isobutyl-1H-pyrazole|CS-0196114
      725746-81-6
    • ~55%
    • (1-Isobutyl-1H-pyrazol-5-yl)boronic acid|CS-0154221
      847818-64-8

    References

    • Ivachtchenko, Alexandre V.; Kravchenko, Dmitry V.; Zheludeva, Valentina I.; Pershin, Dmitry G. Journal of Heterocyclic Chemistry, 2004 , vol. 41, # 6 p. 931 - 939

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   58.28
  • LogP   -0.7811
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   3

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