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61079-72-9

Name 2,3,4-Trifluorobenzoic acid
CAS 61079-72-9
EINECS(EC#) 612-077-3
Molecular Formula C7H3F3O2
MDL Number MFCD00061232
Molecular Weight 176.09
MOL File 61079-72-9.mol
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Chemical Properties

Appearance white to light yellow crystal powder
Melting point  140-142 °C (lit.)
Boiling point  245.3±35.0 °C(Predicted)
density  1,404g/cm
refractive index  1,482
storage temp.  Sealed in dry,2-8°C
solubility  DMSO, Methanol
form  Solid
pka 2.87±0.10(Predicted)
color  White
BRN  7476020
InChI InChI=1S/C7H3F3O2/c8-4-2-1-3(7(11)12)5(9)6(4)10/h1-2H,(H,11,12)
InChIKey WEPXLRANFJEOFZ-UHFFFAOYSA-N
SMILES C(O)(=O)C1=CC=C(F)C(F)=C1F
CAS DataBase Reference 61079-72-9(CAS DataBase Reference)
NIST Chemistry Reference 2,3,4-Trifluorobenzoic acid(61079-72-9)
EPA Substance Registry System Benzoic acid, 2,3,4-trifluoro- (61079-72-9)

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 .
S36:Wear suitable protective clothing .
WGK Germany  3
Hazard Note  Irritant
HazardClass  IRRITANT
HS Code  29163900

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