3-(Trifluoromethyl)-1h-pyrazole-4-carboxylic acid Structure

3-(Trifluoromethyl)-1h-pyrazole-4-carboxylic acid

Chemical Properties

Melting point 248-253°C
Boiling point 349.9±42.0 °C(Predicted)
Density  1.682±0.06 g/cm3(Predicted)
storage temp.  2-8°C
solubility  DMSO (Slightly), Methanol (Slightly)
pka 2.86±0.36(Predicted)
form  solid
color  Pale yellow
InChI 1S/C5H3F3N2O2/c6-5(7,8)3-2(4(11)12)1-9-10-3/h1H,(H,9,10)(H,11,12)
InChIKey VHKMTORCXXPIFI-UHFFFAOYSA-N
SMILES OC(=O)c1c[nH]nc1C(F)(F)F
UNSPSC Code 12352100
NACRES NA.22

Safety

Symbol(GHS) Skull and Crossbones (GHS06)
Signal wordDanger
Hazard statements H301
Precautionary statements P301+P310
Hazard Codes  T
Risk Statements  25
Safety Statements  45
RIDADR  UN 2811 6.1 / PGIII
WGK Germany  3
HS Code  2933199090
Storage Class 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
Hazard Classifications Acute Tox. 3 Oral

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