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3,5-Bis(trifluoromethyl)benzoic acid Structure

3,5-Bis(trifluoromethyl)benzoic acid

Chemical Properties

Melting point 142-143 °C(lit.)
Boiling point 223.9±40.0 °C(Predicted)
Density  1,42 g/cm3
storage temp.  Sealed in dry,Room Temperature
solubility  DMSO, Methanol
form  Solid
pka 3.34±0.10(Predicted)
color  White to Off-White
Water Solubility  Slightly soluble in water.
BRN  2058600
InChI InChI=1S/C9H4F6O2/c10-8(11,12)5-1-4(7(16)17)2-6(3-5)9(13,14)15/h1-3H,(H,16,17)
InChIKey HVFQJWGYVXKLTE-UHFFFAOYSA-N
SMILES C(O)(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1
CAS DataBase Reference 725-89-3(CAS DataBase Reference)
EWG's Food Scores 1
FDA UNII NN52L84T3A
NIST Chemistry Reference 3,5-Bis(trifluoromethyl)benzoic acid(725-89-3)

Safety

Symbol(GHS)
Signal wordWarning
Hazard statements H315-H319-H335
Precautionary statements P261-P264-P271-P280-P302+P352-P305+P351+P338
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-36-37/39
WGK Germany  3
RTECS  DG4448020
HazardClass  IRRITANT
HS Code  29163990
NFPA 704:
0
2 0

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