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725-89-3

Name 3,5-Bis(trifluoromethyl)benzoic acid
CAS 725-89-3
EINECS(EC#) 211-970-1
Molecular Formula C9H4F6O2
MDL Number MFCD00000388
Molecular Weight 258.12
MOL File 725-89-3.mol
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Chemical Properties

Appearance white to light yellow crystal powder
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)
NIST Chemistry Reference 3,5-Bis(trifluoromethyl)benzoic acid(725-89-3)

Safety Data

Hazard Codes  Xi
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S37/39:Wear suitable gloves and eye/face protection .
WGK Germany  3
RTECS  DG4448020
Hazard Note  Irritant
HazardClass  IRRITANT
HS Code  29163990

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