779-89-5

Name 3-(Trifluoromethyl)cinnamic acid
CAS 779-89-5
EINECS(EC#) 212-301-6
Molecular Formula C10H7F3O2
MDL Number MFCD00004393
Molecular Weight 216.16
MOL File 779-89-5.mol
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Chemical Properties

Appearance White Solid
Melting point  135-137 °C(lit.)
Boiling point  224°C (rough estimate)
density  1.3275 (estimate)
storage temp.  Sealed in dry,Room Temperature
solubility  DMSO (Slightly), Methanol (Slightly)
form  Solid
pka 4.25±0.10(Predicted)
color  White to Off-White
Usage Had sedative hypnotic activity in mice, showing potent inhibition of spontaneous motility.
BRN  1963372
InChI InChI=1S/C10H7F3O2/c11-10(12,13)8-3-1-2-7(6-8)4-5-9(14)15/h1-6H,(H,14,15)
InChIKey KSBWHDDGWSYETA-UHFFFAOYSA-N
SMILES C(O)(=O)C=CC1=CC=CC(C(F)(F)F)=C1
CAS DataBase Reference 779-89-5(CAS DataBase Reference)
EPA Substance Registry System 779-89-5(EPA Substance)

Safety Data

Hazard Codes  Xi
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
R37/38:Irritating to 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 .
S37:Wear suitable gloves .
WGK Germany  3
Hazard Note  Irritant
TSCA  Yes
HazardClass  IRRITANT
HS Code  29163990
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

Hazard Information

Material Safety Data Sheet(MSDS)

Spectrum Detail

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