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1,1,1,3,3,3-Hexafluoro-2-methylisopropanol

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1,1,1,3,3,3-Hexafluoro-2-methylisopropanol

EINECS 216-155-4
CAS No. 1515-14-6 Density 1.457 g/cm3
PSA 20.23000 LogP 1.86200
Solubility slightly soluble in Water Melting Point N/A
Formula C4H4F6O Boiling Point 93.5 °C at 760 mmHg
Molecular Weight 182.066 Flash Point 10.3 °C
Transport Information N/A Appearance Clear colorless liquid
Safety 26-36 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 1515-14-6 (HEXAFLUORO-2-METHYLISOPROPANOL) Hazard Symbols HarmfulXn, IrritantXi, FlammableF
Synonyms

1,1,1,3,3,3-Hexafluoro-2-hydroxy-2-methylpropane;1,1,1,3,3,3-Hexafluoro-2-methyl-2-propanol;1,1,1-Trifluoro-2-trifluoromethyl-2-propanol;1,1-Bis(trifluoromethyl)ethanol;2-Methylhexafluoro-2-propanol;Hexafluoro-tert-butanol;Hexafluoro-tert-butyl alcohol;

Article Data 8

1,1,1,3,3,3-Hexafluoro-2-methylisopropanol Specification

The 2-Propanol,1,1,1,3,3,3-hexafluoro-2-methyl- is an organic compound with the formula C4H4F6O. The IUPAC name of this chemical is 1,1,1,3,3,3-Hexafluoro-2-methylpropan-2-ol. With the CAS registry number 1515-14-6, it is also named as Hexafluoro-2-methylisopropanol. The product's categories are Alcohols; C2 to C6; Oxygen Compounds. Besides, its molecular weight is clear colorless liquid, which should be stored in a cool, sealed, dry, well-ventilated, lightproof place. It can be used as a solvent and to prepare fluorine-containing pesticides.

Physical properties about 2-Propanol,1,1,1,3,3,3-hexafluoro-2-methyl- are: (1)ACD/LogP: 2.26; (2)ACD/LogD (pH 5.5): 2.26; (3)ACD/LogD (pH 7.4): 2.26; (4)ACD/BCF (pH 5.5): 30.8; (5)ACD/BCF (pH 7.4): 30.69; (6)ACD/KOC (pH 5.5): 404.7; (7)ACD/KOC (pH 7.4): 403.19; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 9.23 Å2; (12)Index of Refraction: 1.294; (13)Molar Refractivity: 22.99 cm3; (14)Molar Volume: 124.8 cm3; (15)Polarizability: 9.11×10-24 cm3; (16)Surface Tension: 16.1 dyne/cm; (17)Density: 1.457 g/cm3; (18)Flash Point: 10.3 °C; (19)Enthalpy of Vaporization: 38.85 kJ/mol; (20)Boiling Point: 93.5 °C at 760 mmHg; (21)Vapour Pressure: 29.5 mmHg at 25 °C. 

Uses of 2-Propanol,1,1,1,3,3,3-hexafluoro-2-methyl-: it can be used to produce C8H7F12O3P. It will need reagent PCl3; t-BuOH and solvent CH2Cl2 with reaction time of 15 hours. The yield is about 57%.

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C4H4F6O/c1-2(11,3(5,6)7)4(8,9)10/h11H,1H3
(2)InChIKey: FQDXJYBXPOMIBX-UHFFFAOYAO
(3)Std. InChI: InChI=1S/C4H4F6O/c1-2(11,3(5,6)7)4(8,9)10/h11H,1H3
(4)Std. InChIKey: FQDXJYBXPOMIBX-UHFFFAOYSA-N

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