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5-Isobutyl-1-methyl-1H-pyrazole-3-carboxylic acid

  • CAS No. 912451-06-0

  • Cat. No. CS-0461640
  • Molecule weight182.22
  • Purity≥98%
  • MDL No.MFCD10005850

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

5-Isobutyl-1-methyl-1H-pyrazole-3-carboxylic acid|CS-0461640

Structure of 912451-06-0

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General Information

  • CAS No. 912451-06-0
  • Cat. No. CS-0461640
  • Purity ≥98%
  • MDL No. MFCD10005850
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₄N₂O₂
  • Molecular Weight 182.22
  • Synonym(s) 1-methyl-5-(2-methylpropyl)pyrazole-3-carboxylic acid
  • SMILES CC(C)CC1=CC(=NN1C)C(=O)O

Synthesis

  • Route1
    • null|null
      912451-05-9
    • ~%
    • 5-Isobutyl-1-methyl-1H-pyrazole-3-carboxylic acid|CS-0461640
      912451-06-0

    References

    • 3M INNOVATIVE PROPERTIES COMPANY Patent: WO2006/107771 A2, 2006 ; Location in patent: Page/Page column 74 ;

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-P363-P501

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Computational Chemistry Data

  • TPSA   55.12
  • LogP   1.3168
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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