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(S)-(-)-alpha-Methoxy-alpha-(trifluoromethyl)phenylacetic acid Structure

(S)-(-)-alpha-Methoxy-alpha-(trifluoromethyl)phenylacetic acid

Chemical Properties

Melting point 46-49 °C(lit.)
alpha  D24 -71.8± 0.6° (c = 3.28 in CH3OH)
Boiling point 95-97 °C0.05 mm Hg(lit.)
Density  1.303 g/mL at 25 °C(lit.)
refractive index  n20/D 1.474(lit.)
Flash point >230 °F
storage temp.  2-8°C
solubility  Readily soluble in hexane, ether, THF, CH2Cl2, benzene.
form  Viscous Liquid or Low Melting Solid
pka 1.47±0.10(Predicted)
color  Clear colorless or white
Specific Gravity 1.303
optical activity [α]20/D 73±1°, c = 2% in methanol
Sensitive  Hygroscopic
Merck  14,6280
BRN  3591561
InChI 1S/C10H9F3O3/c1-16-9(8(14)15,10(11,12)13)7-5-3-2-4-6-7/h2-6H,1H3,(H,14,15)/t9-/m0/s1
InChIKey JJYKJUXBWFATTE-VIFPVBQESA-N
SMILES CO[C@](C(O)=O)(c1ccccc1)C(F)(F)F
CAS DataBase Reference 17257-71-5(CAS DataBase Reference)

Safety Information

Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-36-37/39
WGK Germany  3
3-10
Hazard Note  Irritant/Keep Cold
HazardClass  IRRITANT, HYGROSCOPIC, KEEP COLD
HS Code  29189900
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

MSDS

Usage And Synthesis

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