Chemical Properties of 1-Methyl-3-trifluoromethyl-2-pyrazolin-5-one (CAS 122431-37-2)

1-Methyl-3-trifluoromethyl-2-pyrazolin-5-one

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InChI
InChI=1S/C5H5F3N2O/c1-10-4(11)2-3(9-10)5(6,7)8/h2H2,1H3
InChI Key
SYHYFYSGUQRNRS-UHFFFAOYSA-N
Formula
C5H5F3N2O
SMILES
CN1N=C(C(F)(F)F)CC1=O
Molecular Weight1
166.10
CAS
122431-37-2
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Physical Properties

Property Value Unit Source
ω 0.3894 Relay (... Calculated Property
ΔfG° -539.46 kJ/mol Relay (... Calculated Property ⚠️
ΔfH°gas -618.62 kJ/mol Relay (... Calculated Property
ΔvapH° 51.18 kJ/mol Relay (... Calculated Property
IE 9.46 eV Relay (... Calculated Property
log10WS -0.40 Relay (... Calculated Property
logPoct/wat 0.767 Crippen Calculated Property
McVol 92.990 ml/mol McGowan Calculated Property
Pc 3336.38 kPa Relay (... Calculated Property ⚠️
Tboil 423.26 K Relay (... Calculated Property
Tc 607.88 K Relay (... Calculated Property
Tfus 322.53 K Relay (... Calculated Property
Vc 0.341 m3/kmol Relay (... Calculated Property

Similar Compounds

3H-Pyrazol-3-one, 2,4-dihydro-2,5-dimethyl-. 1-Methyl-3-n-propyl-2-pyrazolin-5-one. 3H-Pyrazol-3-one, 2,4-dihydro-2-methyl-5-phenyl-. 4,5,6,7-Tetrahydropyrazolo[1,5-d][1,2,4]-triazin-4-one, 2,6-dimethyl. 4,5,6,7-Tetrahydropyrazolo[1,5-d][1,2,4]-triazin-4-one, 2,5,6-trimethyl. 4,5,6,7-Tetrahydropyrazolo[1,5-d][1,2,4]-triazin-4-one, 2,5-dimethyl. 4,5,6,7-Tetrahydropyrazolo[1,5-d][1,2,4]-triazin-4-one, 5-ethyl-2,6-dimethyl. 4,5,6,7-Tetrahydropyrazolo[1,5-d][1,2,4]-triazin-4-one, 2,5,7,7-tetramethyl. 4,5,6,7-Tetrahydropyrazolo[1,5-d][1,2,4]-triazin-4-one, 5-butyl-2,6-dimethyl. 4,5,6,7-Tetrahydropyrazolo[1,5-d][1,2,4]-triazin-4-one, 2,5,6,7,7-pentamethyl. 4,5,6,7-Tetrahydropyrazolo[1,5-d][1,2,4]-triazin-4-one, 5-propyl-2,6-dimethyl. Fentanyl, 4-N-(3-butenyl) analogue. Pyrazolo[1,5-d][1,2,4]triazin-3-one, 2,6-dimethyl-7,7-pentamethylene. 2-Pyrazoline, 1,3,5-trimethyl. Pyrrolidin-2-one, 1-[1-(4-trimethylsilyloxycarbonylphenyl)butan-1-one-2-yl]-.

Find more compounds similar to 1-Methyl-3-trifluoromethyl-2-pyrazolin-5-one.

Sources

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