653-21-4

Name 2,3,4,5,6-PENTAFLUOROPHENYLACETIC ACID
CAS 653-21-4
EINECS(EC#) 211-497-0
Molecular Formula C8H3F5O2
MDL Number MFCD00004316
Molecular Weight 226.1
MOL File 653-21-4.mol
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Chemical Properties

Appearance white crystalline powder
Melting point  108-110 °C(lit.)
Boiling point  235.3±35.0 °C(Predicted)
density  1.5096 (estimate)
storage temp.  Store at room temperature
solubility  95% ethanol: soluble50mg/mL, clear, colorless to very faintly yellow
form  powder to crystal
pka 3.30±0.10(Predicted)
color  White to Almost white
BRN  2056612
InChI 1S/C8H3F5O2/c9-4-2(1-3(14)15)5(10)7(12)8(13)6(4)11/h1H2,(H,14,15)
InChIKey LGCODSNZJOVMHV-UHFFFAOYSA-N
SMILES OC(=O)Cc1c(F)c(F)c(F)c(F)c1F
CAS DataBase Reference 653-21-4(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 .
S36:Wear suitable protective clothing .
WGK Germany  3
Hazard Note  Irritant
HazardClass  IRRITANT
HS Code  29163990
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

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