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1-Butyl-1H-pyrazole

  • CAS No. 52096-24-9

  • Cat. No. CS-0119089
  • Molecule weight124.18
  • Purity≥98%
  • MDL No.MFCD08701137

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

1-Butyl-1H-pyrazole|CS-0119089

Structure of 52096-24-9

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General Information

  • CAS No. 52096-24-9
  • Cat. No. CS-0119089
  • Purity ≥98%
  • MDL No. MFCD08701137
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₂N₂
  • Molecular Weight 124.18
  • Synonym(s) N-Butylpyrazole
  • SMILES CCCCN1N=CC=C1

Synthesis

  • Route1

    References

    • Diez-Barra, E.; Hoz, A. de la; Sanchez-Migallon, A.; Tejeda, J. Synthetic Communications, 1990 , vol. 20, # 18 p. 2849 - 2853
  • Route2

    References

    • Pu, Jun; Kreft, Anthony F.; Aschmies, Suzan H.; Atchison, Kevin P.; Berkowitz, Joshua; Caggiano, Thomas J.; Chlenov, Micheal; Diamantidis, George; Harrison, Boyd L.; Hu, Yun; Huryn, Donna; Steven Jacobsen; Jin, Mei; Lipinski, Kerri; Lu, Peimin; Martone, Robert L.; Morris, Koi; Sonnenberg-Reines, June; Riddell, Dave R.; Sabalski, Joan; Sun, Shaiu-Ching; Wagner, Erik; Wang, Yiqun; Xu, Zheng; Zhou, Hua; Resnick, Lynn Bioorganic and Medicinal Chemistry, 2009 , vol. 17, # 13 p. 4708 - 4717
  • Route3
    • null|null
      109-65-9
    • null|null
      18156-75-7
    • ~86%
    • 1-Butyl-1H-pyrazole|CS-0119089
      52096-24-9

    References

    • Gasparini, J. P.; Gassend, R.; Maire, J. C.; Elguero, J. Journal of Organometallic Chemistry, 1980 , vol. 188, # 2 p. 141 - 150

Safety Information

Download SDS
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   17.82
  • LogP   1.6832
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   3

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