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115029-22-6

Name 2-FLUORO-3-(TRIFLUOROMETHYL)BENZOIC ACID
CAS 115029-22-6
Molecular Formula C8H4F4O2
MDL Number MFCD00040980
Molecular Weight 208.11
MOL File 115029-22-6.mol
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Chemical Properties

Appearance White to beige crystalline powder
Melting point  126-128 °C (lit.)
Boiling point  249.6±40.0 °C(Predicted)
density  1.489±0.06 g/cm3(Predicted)
form  Crystalline Powder
pka 2.84±0.10(Predicted)
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 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 .
S37/39:Wear suitable gloves and eye/face protection .
WGK Germany  3
Hazard Note  Irritant
HazardClass  IRRITANT
HS Code  29163990

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