2,2,3,4,4,4-HEXAFLUORO-1-BUTANOL

The 2,2,3,4,4,4-Hexafluoro-1-butanol, with the CAS registry number 382-31-0 and EINECS registry number 206-842-7, is also called 2,2,3,4,4,4-hexafluorobutan-1-ol. And the molecular formula of this chemical is C₄H₄F₆O. It belongs to the following product categories: Alcohols; C2 to C6; Oxygen Compounds.

The physical properties of 2,2,3,4,4,4-Hexafluoro-1-butanol are as following: (1)ACD/LogP: 0.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.74; (4)ACD/LogD (pH 7.4): 0.74; (5)ACD/BCF (pH 5.5): 2.15; (6)ACD/BCF (pH 7.4): 2.15; (7)ACD/KOC (pH 5.5): 60.28; (8)ACD/KOC (pH 7.4): 60.28; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.294; (14)Molar Refractivity: 22.98 cm³; (15)Molar Volume: 125.2 cm³; (16)Polarizability: 9.11×10^-24cm³; (17)Surface Tension: 16.5 dyne/cm; (18)Density: 1.453 g/cm³; (19)Flash Point: 51.7 °C; (20)Enthalpy of Vaporization: 41.16 kJ/mol; (21)Boiling Point: 114.7 °C at 760 mmHg; (22)Vapour Pressure: 9.94 mmHg at 25°C.

Uses of 2,2,3,4,4,4-Hexafluoro-1-butanol: It can react with 2,3-difluoro-propionyl chloride to produce 2,3-Difluorpropansaeure-2,2,3,4,4,4-hexafluorbutylester. This reaction will need reagent pyridine, and the solvent CCl4. The reaction time is 1 hour, and the yield is about 75%.

You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin, and it is also harmful by inhalation and if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)C(F)C(F)(F)CO
(2)InChI: InChI=1/C4H4F6O/c5-2(4(8,9)10)3(6,7)1-11/h2,11H,1H2
(3)InChIKey: LVFXLZRISXUAIL-UHFFFAOYAA