3-HYDROXY-2-TRIFLUOROMETHYLPROPIONIC ACID

The CAS registry number of Propanoic acid,3,3,3-trifluoro-2-(hydroxymethyl)- is 382-43-4. It belongs to the product categories of Biocides; Chemistry. This chemical is also named as 2-(Trifluoromethyl)-3-hydroxypropionic acid. In addition, its molecular formula is C₄H₅F₃O₃ and molecular weight is 158.08. Its systematic name is called 3,3,3-trifluoro-2-(hydroxymethyl)propanoic acid.

Physical properties about Propanoic acid,3,3,3-trifluoro-2-(hydroxymethyl)- are: (1)ACD/LogP: 0.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.28; (4)ACD/LogD (pH 7.4): -3.27; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.382; (13)Molar Refractivity: 24.09 cm³; (14)Molar Volume: 103.4 cm³; (15)Surface Tension: 34.5 dyne/cm; (16)Density: 1.527 g/cm³; (17)Flash Point: 119.1 °C; (18)Enthalpy of Vaporization: 59.4 kJ/mol; (19)Boiling Point: 273.3 °C at 760 mmHg; (20)Vapour Pressure: 0.000739 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-trifluoromethyl-acrylic acid. This reaction will need reagent aq. H₂SO₄. The reaction time is 2 days by heating. The yield is about 85 %.

Uses of Propanoic acid,3,3,3-trifluoro-2-(hydroxymethyl)-: it can be used to produce 2-trifluoromethyl-pentan-1-ol. It will need reagent sodium methoxide and solvent methanol. It will need electrolysis. The yield is about 50 %.

When you are using this chemical, please be cautious about it as the following:
This chemical may destroy living tissue on contact and may cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection. Finally, after contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer).

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)C(C(=O)O)CO
(2)InChI: InChI=1/C4H5F3O3/c5-4(6,7)2(1-8)3(9)10/h2,8H,1H2,(H,9,10)
(3)InChIKey: PKKMMANRRSONBS-UHFFFAOYAF