3-Oxo-3-(2-trifluoromethylphenyl)propionic acid ethyl ester Structure

3-Oxo-3-(2-trifluoromethylphenyl)propionic acid ethyl ester

Chemical Properties

Boiling point 237-238 °C (lit.)
Density  1.258 g/mL at 25 °C (lit.)
refractive index  n20/D 1.4875(lit.)
Flash point >230 °F
storage temp.  Storage temp. 2-8°C
pka 9.55±0.46(Predicted)
Appearance Colorless to light yellow Liquid
InChI 1S/C12H11F3O3/c1-2-18-11(17)7-10(16)8-5-3-4-6-9(8)12(13,14)15/h3-6H,2,7H2,1H3
InChIKey KMPAHDWULITWIH-UHFFFAOYSA-N
SMILES CCOC(=O)CC(=O)c1ccccc1C(F)(F)F
CAS DataBase Reference 89424-17-9(CAS DataBase Reference)
UNSPSC Code 12352100
NACRES NA.22

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H315-H319-H335
Precautionary statements P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
WGK Germany  3
HS Code  2916399090
Storage Class 10 - Combustible liquids

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3-Oxo-3-(2-trifluoromethylphenyl)propionic acid ethyl ester Spectrum

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