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2-Propanol,1,1,1-trifluoro-2-methyl-

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Name

2-Propanol,1,1,1-trifluoro-2-methyl-

EINECS 208-075-3
CAS No. 507-52-8 Density 1.18 g/cm3
PSA 20.23000 LogP 1.31960
Solubility N/A Melting Point 53oC
Formula C4H7F3O Boiling Point 87.4 °C at 760 mmHg
Molecular Weight 128.094 Flash Point 47.4 °C
Transport Information N/A Appearance N/A
Safety 16-23-36 Risk Codes 11
Molecular Structure Molecular Structure of 507-52-8 (2-TRIFLUOROMETHYL-2-PROPANOL) Hazard Symbols FlammableF
Synonyms

1,1,1-Trifluoro-2-methyl-2-propanol;1-Trifluoromethylisopropanol;2,2,2-Trifluoro-1,1-dimethylethanol;2-(Trifluoromethyl)-2-propanol;2-Hydroxy-2-trifluoromethylpropane;NSC 3633;Trifluoro-tert-butyl alcohol;1,1,1-Trifluoro-2-methylpropan-2-ol;2-propanol, 1,1,1-trifluoro-2-methyl-;1,1,1-Trifluoro-2-methyl-2-propanol;1-Trifluoromethylisopropanol; 2-Hydroxy-2-trifluoromethylpropane;2-(Trifluoromethyl)-2-propanol;

Article Data 16

2-Propanol,1,1,1-trifluoro-2-methyl- Specification

The 2-Propanol,1,1,1-trifluoro-2-methyl-, with the CAS registry number 507-52-8 and EINECS registry number 208-075-3, has the systematic name and IUPAC name of 1,1,1-trifluoro-2-methylpropan-2-ol. It belongs to the following product categories: Small molecule; Alcohols; C2 to C6; Oxygen Compounds. And the molecular formula of the chemical is C4H7F3O.

The characteristics of 2-Propanol,1,1,1-trifluoro-2-methyl- are as followings: (1)ACD/LogP: 1.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.01; (4)ACD/LogD (pH 7.4): 1.01; (5)ACD/BCF (pH 5.5): 3.43; (6)ACD/BCF (pH 7.4): 3.43; (7)ACD/KOC (pH 5.5): 84.11; (8)ACD/KOC (pH 7.4): 84.11; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.336; (14)Molar Refractivity: 22.53 cm3; (15)Molar Volume: 108.5 cm3; (16)Polarizability: 8.93×10-24cm3; (17)Surface Tension: 19 dyne/cm; (18)Density: 1.18 g/cm3; (19)Flash Point: 47.4 °C; (20)Enthalpy of Vaporization: 38.19 kJ/mol; (21)Boiling Point: 87.4 °C at 760 mmHg; (22)Vapour Pressure: 40.1 mmHg at 25°C.

Preparation of 2-Propanol,1,1,1-trifluoro-2-methyl-: This chemical can be prepared by methylmagnesium iodide and 1,1,1-trifluoro-propan-2-one. The reaction will need reagent diethyl ether. The reaction time is 4 hours with 0°C to room temperature, and the yield is about 70%.

Uses of 2-Propanol,1,1,1-trifluoro-2-methyl-: It can be used to produce 1,1,1-trifluoro-2-methyl-2-nitrooxy-propane. This reaction will need reagent trifluoroacetic anhydride and nitric acid. The reaction time is 0.5 hours with temperature of 0°C, and the yield is about 62%. 

You should be cautious while dealing with this chemical. It is a kind of flammable chemical. Therefore, you had better take the following instructions: Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer); Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: FC(F)(F)C(O)(C)C
(2)InChI: InChI=1/C4H7F3O/c1-3(2,8)4(5,6)7/h8H,1-2H3
(3)InChIKey: OCGWWLDZAFOHGD-UHFFFAOYAN

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