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CS-W001157 4
Total: USD 88.00

2-(5-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetic acid

  • CAS No. 345637-71-0

  • Cat. No. CS-0042820
  • Purity≥98%
  • MDL No.MFCD00297315

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

2-(5-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetic acid|CS-0042820

Structure of 345637-71-0

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General Information

  • CAS No. 345637-71-0
  • Cat. No. CS-0042820
  • Purity ≥98%
  • MDL No. MFCD00297315
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₇F₃N₂O₂
  • Molecular Weight 208.14
  • Synonym(s) 5-methyl-3-(trifluoromethyl)-1H-Pyrazole-1-aceticacid
  • SMILES O=C(O)CN1N=C(C(F)(F)F)C=C1C

Synthesis

  • Route1
    • Ethyl 2-(5-methyl-3-(trifluoromethyl)-1h-pyrazol-1-yl)acetate|CS-0299137
      299405-24-6
    • ~%
    • In-stock
      2-(5-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetic acid|CS-0042820
      345637-71-0

    References

    • WO2008/91580 A2, ; Page/Page column 53 ;
  • Route2
    • null|null
      105-36-2
    • In-stock
      3-Methyl-5-(trifluoromethyl)-1H-pyrazole|CS-W000825
      10010-93-2
    • ~%
    • In-stock
      2-(5-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetic acid|CS-0042820
      345637-71-0

    References

    • WO2007/14290 A2, ; Page/Page column 55-56 ;

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   1.29492
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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