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3-Methyl-5-(trifluoromethyl)-1H-pyrazole
[CAS# 942060-04-0]

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Identification
Name 3-Methyl-5-(trifluoromethyl)-1H-pyrazole
Synonyms 3-METHYL-5- PYRAZOLE
Molecular Structure CAS#: 942060-04-0, 3-Methyl-5-(trifluoromethyl)-1H-pyrazole
Molecular Formula C5H5F3N2
Molecular Weight 150.10
CAS Registry Number 942060-04-0
SMILES CC1=NNC(=C1)C(F)(F)F
InChI 1S/C5H5F3N2/c1-3-2-4(10-9-3)5(6,7)8/h2H,1H3,(H,9,10)
InChIKey DLCHCAYDSKIFIN-UHFFFAOYSA-N
Properties
Density 1.4±0.1g/cm3 (Cal.)
Melting point 89-90°C (Expl.)
Boiling point 117°C (Expl.)
187.3±35.0°C at 760 mmHg (Cal.)
Flash point 67.1±25.9°C (Cal.)
Refractive index 1.429 (Cal.)
Safety Data
Safety Description S22,S24/25,S36/37/39,S45
R36/37/38
Irritant
IRRITANT
References
(1) Ivo Krummenacher, Ignacio Fernández, Heinz Rüegger, Florian Weigend and Frank Breher. Neutral and cationic main group element cages of germanium(ii) with pyrazolyl ligands: solid state structures, DFT calculations and advanced solution NMR investigations, Dalton Trans., 2009, 5335.
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