ChemicalBook--->CAS DataBase List--->585-50-2

585-50-2

585-50-2 Structure

585-50-2 Structure
IdentificationMore
[Name]

3-(3-Trifluoromethylphenyl)propionic acid
[CAS]

585-50-2
[Synonyms]

3-(3-(TRIFLUOROMETHYL)PHENYL)PROPANOIC ACID
3-(3'-TRIFLUOROMETHYLPHENYL)-PROPIONIC ACID
3-(3-TRIFLUOROMETHYLPHENYL)PROPIONIC ACID
RARECHEM AL BO 1070
[EINECS(EC#)]

639-439-3
[Molecular Formula]

C10H9F3O2
[MDL Number]

MFCD00090487
[Molecular Weight]

218.17
[MOL File]

585-50-2.mol
Chemical PropertiesBack Directory
[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 DataBack Directory
[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
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethanol-->Hydrochloric acid-->Hexane-->Pyridine-->Palladium-->Hydrogen-->Piperidine-->Malonic acid-->3-(Trifluoromethyl)benzaldehyde-->3-(trifluoromethyl) Cinnamaldehyde
[Preparation Products]

3-(3'-TRIFLUOROMETHYL PHENYL) PROPANOL-->N-((R)-1-(naphthalen-1-yl)ethyl)-3-(3-(trifluoroMethyl)phenyl)propanaMide-->3-(3-TRIFLUOROMETHYL-PHENYL)-PROPIONALDEHYDE
Hazard InformationBack Directory
[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]

White Crysstalline
[Uses]

3-(3-Trifluoromethylphenyl)propionic Acid (585-50-2) can be used as catalysts.
[Preparation]

3-(3-Trifluoromethylphenyl)propionic acid is synthesised by the reaction of 3-trifluoromethylaniline and propionic acid.
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

585-50-2(sigmaaldrich)
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