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585-50-2

Name 3-(3-Trifluoromethylphenyl)propionic acid
CAS 585-50-2
EINECS(EC#) 639-439-3
Molecular Formula C10H9F3O2
MDL Number MFCD00090487
Molecular Weight 218.17
MOL File 585-50-2.mol
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Chemical Properties

Melting point  35°C(lit.)
Boiling point  149°C/11mmHg(lit.)
density  1.307±0.06 g/cm3(Predicted)
storage temp.  Sealed in dry,Room Temperature
solubility  Chloroform (Slightly), Methanol (Slightly)
form  Oil
pka 4.56±0.10(Predicted)
color  Colourless
InChI InChI=1S/C10H9F3O2/c11-10(12,13)8-3-1-2-7(6-8)4-5-9(14)15/h1-3,6H,4-5H2,(H,14,15)
InChIKey YLTJJMIWCCJIHI-UHFFFAOYSA-N
SMILES C1=CC(=CC(=C1)C(F)(F)F)CCC(=O)O
CAS DataBase Reference 585-50-2(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 .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
Hazard Note  Irritant
HS Code  2916399090

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