2358-29-4

Name 2,3,6-TRIFLUOROBENZOIC ACID
CAS 2358-29-4
Molecular Formula C7H3F3O2
MDL Number MFCD00002409
Molecular Weight 176.09
MOL File 2358-29-4.mol
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Chemical Properties

Appearance white to light yellow crystal powder
Melting point  130-131 °C (lit.)
Boiling point  233.5±35.0 °C(Predicted)
density  1.536±0.06 g/cm3(Predicted)
storage temp.  Sealed in dry,Room Temperature
form  powder to crystal
pka 2.00±0.10(Predicted)
color  White to Almost white
BRN  2579153
InChI InChI=1S/C7H3F3O2/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2H,(H,11,12)
InChIKey MGUPHQGQNHDGNK-UHFFFAOYSA-N
SMILES C(O)(=O)C1=C(F)C=CC(F)=C1F
CAS DataBase Reference 2358-29-4(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 .
S36:Wear suitable protective clothing .
WGK Germany  3
Hazard Note  Irritant
TSCA  TSCA listed
HS Code  29163990
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

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