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CS-W001157 4
Total: USD 88.00

1-Methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid

  • CAS No. 113100-53-1

  • Cat. No. CS-W008223
  • Purity≥98%
  • MDL No.MFCD01936005

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

1-Methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid|CS-W008223

Structure of 113100-53-1

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General Information

  • CAS No. 113100-53-1
  • Cat. No. CS-W008223
  • Purity ≥98%
  • MDL No. MFCD01936005
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₅F₃N₂O₂
  • Molecular Weight 194.11
  • Synonym(s) 1-Methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxy
  • SMILES O=C(C1=CN(C)N=C1C(F)(F)F)O

Synthesis

  • Route1
    • null|null
      90608-65-4
    • null|null
      354-34-7
    • null|null
      60-34-4
    • ~83%
    • In-stock
      1-Methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid|CS-W008223
      113100-53-1

    References

    • BASF SE Patent: US2011/40096 A1, 2011 ; Location in patent: Page/Page column 11 ;
  • Route2

    References

    • Wu, Zhibing; Hu, Deyu; Kuang, Jiqing; Cai, Hua; Wu, Shixi; Xue, Wei Molecules, 2012 , vol. 17, # 12 p. 14205 - 14218
  • Route3
    • null|null
      124-38-9
    • In-stock
      4-Bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole|CS-0041880
      497832-99-2
    • ~85%
    • In-stock
      1-Methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid|CS-W008223
      113100-53-1

    References

    • Schlosser, Manfred; Volle, Jean-Noel; Leroux, Frederic; Schenk, Kurt European Journal of Organic Chemistry, 2002 , # 17 p. 2913 - 2920

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

Quality Control

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Computational Chemistry Data

  • TPSA   55.12
  • LogP   1.1371
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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