CAS No.507-52-8,2-TRIFLUOROMETHYL-2-PROPANOL Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	507-52-8
Name:	2-TRIFLUOROMETHYL-2-PROPANOL
Article Data:	16

Formula:	C₄H₇F₃O
Molecular Weight:	128.094
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;
EINECS:	208-075-3
Density:	1.18 g/cm³
Melting Point:	53oC
Boiling Point:	87.4 °C at 760 mmHg
Flash Point:	47.4 °C
Hazard Symbols:	F
Risk Codes:	11
Safety:	16-23-36
PSA:	20.23000
LogP:	1.31960

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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