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3-(Trifluoromethyl)benzoic acid Structure

3-(Trifluoromethyl)benzoic acid

Chemical Properties

Melting point 104-106 °C(lit.)
Boiling point 238.5 °C775 mm Hg(lit.)
Density  1.3173 (estimate)
Flash point 237-240°C
storage temp.  Keep in dark place,Sealed in dry,Room Temperature
pka 3.77±0.10(Predicted)
form  powder to crystal
color  White
BRN  2049239
InChI InChI=1S/C8H5F3O2/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)
InChIKey FQXQBFUUVCDIRK-UHFFFAOYSA-N
SMILES C(O)(=O)C1=CC=CC(C(F)(F)F)=C1
CAS DataBase Reference 454-92-2(CAS DataBase Reference)
NIST Chemistry Reference 3-(Trifluoromethyl)benzoic acid(454-92-2)
EPA Substance Registry System Benzoic acid, 3-(trifluoromethyl)- (454-92-2)

Safety Information

Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-36-24/25
WGK Germany  3
TSCA  TSCA listed
HazardClass  IRRITANT
HS Code  29163900
Storage Class 11 - Combustible Solids

MSDS

Usage And Synthesis

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