168833-80-5

Name 3-(TRIFLUOROMETHOXY)CINNAMIC ACID
CAS 168833-80-5
EINECS(EC#) 625-131-6
Molecular Formula C10H7F3O3
MDL Number MFCD00066337
Molecular Weight 232.16
MOL File 168833-80-5.mol
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Chemical Properties

Appearance off-white crystalline powder
Melting point  92-96 °C (lit.)
Boiling point  286℃
density  1.403
Fp  127℃
storage temp.  Store at room temperature
solubility  very faint turbidity in Methanol
form  powder to crystal
pka 4.27±0.10(Predicted)
color  White to Almost white
InChI 1S/C10H7F3O3/c11-10(12,13)16-8-3-1-2-7(6-8)4-5-9(14)15/h1-6H,(H,14,15)/b5-4+
InChIKey CLKZZEYGXRWYNI-SNAWJCMRSA-N
SMILES [H]\C(=C(\[H])c1cccc(OC(F)(F)F)c1)C(O)=O
CAS DataBase Reference 168833-80-5(CAS DataBase Reference)

Safety Data

Hazard Codes  T,Xi
Risk Statements 
R25:Toxic if swallowed.
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 .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
RIDADR  UN 2811 6.1/PG 3
WGK Germany  3
Hazard Note  Irritant
HazardClass  IRRITANT
HS Code  29189900
Storage Class 6.1D - Non-combustible acute toxic Cat.3
toxic hazardous materials or hazardous materials causing chronic effects
Hazard Classifications Acute Tox. 3 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

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