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| CAS No.: | 1515-14-6 |
|---|---|
| Name: | HEXAFLUORO-2-METHYLISOPROPANOL |
| Article Data: | 8 |
| Molecular Structure: | |
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|
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| Formula: | C4H4F6O |
| Molecular Weight: | 182.066 |
| 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; |
| EINECS: | 216-155-4 |
| Density: | 1.457 g/cm3 |
| Boiling Point: | 93.5 °C at 760 mmHg |
| Flash Point: | 10.3 °C |
| Solubility: | slightly soluble in Water |
| Appearance: | Clear colorless liquid |
| Hazard Symbols: |
 Xn,  Xi,  F
|
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 26-36 |
| PSA: | 20.23000 |
| LogP: | 1.86200 |
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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%.
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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