Cas no 2090994-89-9 (1-isobutyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid)

1-isobutyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid structure
2090994-89-9 structure
Product Name:1-isobutyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid
CAS No:2090994-89-9
MF:C9H11F3N2O2
MW:236.191052675247
CID:5721670
PubChem ID:96414070
Update Time:2023-10-26

1-isobutyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 2090994-89-9
    • 2-(2-METHYLPROPYL)-5-(TRIFLUOROMETHYL)PYRAZOLE-3-CARBOXYLIC ACID
    • AKOS026720677
    • starbld0015752
    • 1-isobutyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid
    • KS-9140
    • F2198-0102
    • 1H-Pyrazole-5-carboxylic acid, 1-(2-methylpropyl)-3-(trifluoromethyl)-
    • Inchi： 1S/C9H11F3N2O2/c1-5(2)4-14-6(8(15)16)3-7(13-14)9(10,11)12/h3,5H,4H2,1-2H3,(H,15,16)
    • InChI Key： TYZZMASKLUMDJW-UHFFFAOYSA-N
    • SMILES： FC(C1C=C(C(=O)O)N(CC(C)C)N=1)(F)F

Computed Properties

  • Exact Mass: 236.07726208g/mol
  • Monoisotopic Mass: 236.07726208g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 268
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.3
  • Topological Polar Surface Area: 55.1?2

Experimental Properties

  • Density: 1.37±0.1 g/cm3(Predicted)
  • Boiling Point: 316.3±42.0 °C(Predicted)
  • pka: 3.19±0.36(Predicted)

1-isobutyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
I155251-100mg
1-isobutyl-3-(trifluoromethyl)-1h-pyrazole-5-carboxylic acid
 2090994-89-9
100mg
 $ 135.00 2022-06-04
TRC
I155251-500mg
1-isobutyl-3-(trifluoromethyl)-1h-pyrazole-5-carboxylic acid
 2090994-89-9
500mg
 $ 500.00 2022-06-04
TRC
I155251-1g
1-isobutyl-3-(trifluoromethyl)-1h-pyrazole-5-carboxylic acid
 2090994-89-9
1g
 $ 795.00 2022-06-04
Life Chemicals
F2198-0102-0.25g
1-isobutyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid
 2090994-89-9 95%+
0.25g
 $1081.0 2023-09-06
Life Chemicals
F2198-0102-0.5g
1-isobutyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid
 2090994-89-9 95%+
0.5g
 $1138.0 2023-09-06
Life Chemicals
F2198-0102-1g
1-isobutyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid
 2090994-89-9 95%+
1g
 $1198.0 2023-09-06
Life Chemicals
F2198-0102-2.5g
1-isobutyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid
 2090994-89-9 95%+
2.5g
 $2396.0 2023-09-06
Life Chemicals
F2198-0102-5g
1-isobutyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid
 2090994-89-9 95%+
5g
 $3594.0 2023-09-06
Life Chemicals
F2198-0102-10g
1-isobutyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid
 2090994-89-9 95%+
10g
 $5032.0 2023-09-06

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