94022-99-8

Name 3-[o-(alpha,alpha,alpha-trifluorotolyl)]propionic acid
CAS 94022-99-8
EINECS(EC#) 301-594-7
Molecular Formula C10H9F3O2
MDL Number MFCD06823965
Molecular Weight 218.17
MOL File 94022-99-8.mol
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Chemical Properties

Melting point  84-88 °C
Boiling point  266.9±35.0 °C(Predicted)
density  1.307±0.06 g/cm3(Predicted)
storage temp.  Sealed in dry,Room Temperature
solubility  DMSO (Slightly), Methanol (Slightly)
form  Solid
pka 4.53±0.10(Predicted)
color  White
InChI InChI=1S/C10H9F3O2/c11-10(12,13)8-4-2-1-3-7(8)5-6-9(14)15/h1-4H,5-6H2,(H,14,15)
InChIKey YTDVNFDGHHHPEE-UHFFFAOYSA-N
SMILES C1(CCC(O)=O)=CC=CC=C1C(F)(F)F

Safety Data

Hazard Codes  Xn
Risk Statements 
Safety Statements 
WGK Germany  3
Hazard Note  Harmful
TSCA  Yes
HS Code  29163990
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

Hazard Information

Spectrum Detail

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