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2-FLUORO-3-(TRIFLUOROMETHYL)BENZOIC ACID Structure

2-FLUORO-3-(TRIFLUOROMETHYL)BENZOIC ACID

Chemical Properties

Melting point 126-128 °C (lit.)
Boiling point 249.6±40.0 °C(Predicted)
Density  1.489±0.06 g/cm3(Predicted)
pka 2.84±0.10(Predicted)
form  Crystalline Powder
color  White to beige
InChI InChI=1S/C8H4F4O2/c9-6-4(7(13)14)2-1-3-5(6)8(10,11)12/h1-3H,(H,13,14)
InChIKey XVEAMDNSCPPPCP-UHFFFAOYSA-N
SMILES C(O)(=O)C1=CC=CC(C(F)(F)F)=C1F
CAS DataBase Reference 115029-22-6(CAS DataBase Reference)

Safety

Symbol(GHS)
Signal wordWarning
Hazard statements H315-H319-H335
Precautionary statements P261-P305+P351+P338-P280a-P304+P340-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-37/39
WGK Germany  3
HazardClass  IRRITANT
HS Code  29163990
NFPA 704:
1
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