3-(3-Trifluoromethylphenyl)propionic acid
- CAS NO.：585-50-2
- Empirical Formula: C10H9F3O2
- Molecular Weight: 218.17
- MDL number: MFCD00090487
- EINECS: 639-439-3
- SAFETY DATA SHEET (SDS)
- Update Date: 2025-07-24 18:13:50
What is 3-(3-Trifluoromethylphenyl)propionic acid?
Description
3-(3-Trifluoromethylphenyl)propionic acid is an important organic solvent with a mild, pleasant aroma, used as an efficient organic reagent in polymer production processes and as a co-catalyst for trifluoroacetic acid. It is used in biological research as a substrate for the synthesis of various compounds and for the study of enzyme-catalysed reactions. It is also used in the synthesis of cinacalcet. Cinacalcet is a drug used to treat chronic kidney disease (dialysis) and high levels of calcium in the blood (parathyroid disease).
Chemical properties
3-(3-Trifluoromethylphenyl)propionic acid has the appearance of a white or colourless to yellowish powder to a lumpy to clear liquid with a melting point of 35 °C and a boiling point of 149 °C/11 mmHg; store at room temperature.
The Uses of 3-(3-Trifluoromethylphenyl)propionic acid
3-(3-Trifluoromethylphenyl)propionic Acid can be used as catalysts.
The Uses of 3-(3-Trifluoromethylphenyl)propionic acid
3-(3-Trifluoromethylphenyl)propionic acid is used in the synthesis of Cinacalcet and also participates in the boron-catalyzed N-alkylation of amines of carboxylic acids.
Preparation
3-(3-Trifluoromethylphenyl)propionic acid is synthesised by the reaction of 3-trifluoromethylaniline and propionic acid.
Properties of 3-(3-Trifluoromethylphenyl)propionic acid
| 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) |
| CAS DataBase Reference | 585-50-2(CAS DataBase Reference) |
Safety information for 3-(3-Trifluoromethylphenyl)propionic acid
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 3-(3-Trifluoromethylphenyl)propionic acid
| InChIKey | YLTJJMIWCCJIHI-UHFFFAOYSA-N |
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)CCC(=O)O |
3-(3-Trifluoromethylphenyl)propionic acid manufacturer
ALS India Life Sciences Pvt. Ltd
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