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CAS No. 16063-79-9 Density 1.352 g/cm3
PSA 63.32000 LogP 1.29700
Solubility N/A Melting Point 245-248 °C
Formula C5H8F3NO2 Boiling Point 193.3 °C at 760 mmHg
Molecular Weight 171.119 Flash Point 70.7 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 16063-79-9 (4,4,4-TRIFLUORO-DL-VALINE) Hazard Symbols Xi,T


Article Data 3

Valine,4,4,4-trifluoro- Specification

The Valine,4,4,4-trifluoro- is an organic compound with the formula C5H8F3NO2. The IUPAC name of this chemical is 2-Amino-4,4,4-trifluoro-3-methylbutanoic acid. With the CAS registry number 16063-79-9, it is also named as 4,4,4-Trifluoro-DL-valine. Besides, its molecular weight is 171.12.

Physical properties about Valine,4,4,4-trifluoro- are: (1)ACD/LogP: 1.42; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 29.54 Å2; (10)Index of Refraction: 1.4; (11)Molar Refractivity: 30.68 cm3; (12)Molar Volume: 126.5 cm3; (13)Polarizability: 12.16×10-24 cm3; (14)Surface Tension: 31.7 dyne/cm; (15)Density: 1.352 g/cm3; (16)Flash Point: 70.7 °C; (17)Enthalpy of Vaporization: 47.35 kJ/mol; (18)Boiling Point: 193.3 °C at 760 mmHg; (19)Vapour Pressure: 0.203 mmHg at 25 °C.

Preparation: this chemical can be prepared by Acetic acid anhydride. The reaction temperature is 0 °C. The yield is about 98%.

Valine,4,4,4-trifluoro- can be obtained by Acetic acid anhydride


Uses of Valine,4,4,4-trifluoro-: it can be used to produce γ,γ,γ-Trifluoro-valine. It will need reagent 6 N HCl and solvent acetic acid with reaction time of 20 hours. The yield is about 78%.

Valine,4,4,4-trifluoro- can be used to produce γ,γ,γ-Trifluoro-valine


You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C5H8F3NO2/c1-2(5(6,7)8)3(9)4(10)11/h2-3H,9H2,1H3,(H,10,11)
(3)Std. InChI: InChI=1S/C5H8F3NO2/c1-2(5(6,7)8)3(9)4(10)11/h2-3H,9H2,1H3,(H,10,11)

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