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5-(Trifluoromethyl)-1H-Pyrazole-3-Carboxylic Acid
[CAS# 247583-70-6]

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Identification
Name 5-(Trifluoromethyl)-1H-Pyrazole-3-Carboxylic Acid
Molecular Structure CAS#: 247583-70-6, 5-(Trifluoromethyl)-1H-Pyrazole-3-Carboxylic Acid
Molecular Formula C5H3F3N2O2
Molecular Weight 180.08
CAS Registry Number 247583-70-6
SMILES O=C(O)c1nnc(c1)C(F)(F)F
InChI 1S/C5H3F3N2O2/c6-5(7,8)3-1-2(4(11)12)9-10-3/h1H,(H,9,10)(H,11,12)
InChIKey CIVNBJPTGRMGRS-UHFFFAOYSA-N
Properties
Density 1.683g/cm3 (Cal.)
Melting point 171-173°C (Expl.)
Boiling point 354.157°C at 760 mmHg (Cal.)
Flash point 167.988°C (Cal.)
Refractive index 1.485 (Cal.)
Safety Data
Safety Description Harmful/Store under Argon/Keep Cold
IRRITANT
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