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EINECS 240-207-5
CAS No. 16063-80-2 Density 1.575 g/cm3
PSA 63.32000 LogP 1.83940
Solubility N/A Melting Point 204 °C (dec.)
Formula C5H5F6NO2 Boiling Point 165.9 °C at 760 mmHg
Molecular Weight 225.091 Flash Point 54.1 °C
Transport Information N/A Appearance White solid
Safety 22-24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 16063-80-2 (HEXAFLUORO-DL-VALINE) Hazard Symbols IrritantXi

Butyricacid, 2-amino-4,4,4-trifluoro-3-(trifluoromethyl)-, DL- (8CI);DL-Valine,4,4,4,4',4',4'-hexafluoro-;NSC 270745;

Article Data 5

Valine,4,4,4,4',4',4'-hexafluoro- Specification

The Valine,4,4,4,4',4',4'-hexafluoro- is an organic compound with the formula C5H5F6NO2. The IUPAC name of this chemical is 2-Amino-4,4,4-trifluoro-3-(trifluoromethyl)butanoic acid. With the CAS registry number 16063-80-2, it is also named as 4,4,4,4',4',4'-Hexafluorovaline. Besides, its molecular weight is 225.09.

Physical properties about Valine,4,4,4,4',4',4'-hexafluoro- are: (1)ACD/LogP: 3.40; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): -0.16; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 6.66; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 29.54 Å2; (12)Index of Refraction: 1.354; (13)Molar Refractivity: 31.14 cm3; (14)Molar Volume: 142.9 cm3; (15)Polarizability: 12.34×10-24 cm3; (16)Surface Tension: 26.3 dyne/cm; (17)Density: 1.575 g/cm3; (18)Flash Point: 54.1 °C; (19)Enthalpy of Vaporization: 44.38 kJ/mol; (20)Boiling Point: 165.9 °C at 760 mmHg; (21)Vapour Pressure: 0.922 mmHg at 25 °C.

Preparation: this chemical can be prepared by Hexafluorvalin-aethylester. This reaction will need reagent 6 N HCl. The reaction time is 7 hours with reaction temperature of 90 °C. The yield is about 80%.

Uses of Valine,4,4,4,4',4',4'-hexafluoro-: it can be used to produce 4,4,4-Trifluoro-2-(2,2,2-trifluoro-acetylamino)-3-trifluoromethyl-butyric acid. It will need solvent trifluoroacetic acid. The yield is about 82%.

When you are using this chemical, please be cautious about it as the following:
When you are using it, do not breathe dust and avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C5H5F6NO2/c6-4(7,8)2(5(9,10)11)1(12)3(13)14/h1-2H,12H2,(H,13,14)
(3)Std. InChI: InChI=1S/C5H5F6NO2/c6-4(7,8)2(5(9,10)11)1(12)3(13)14/h1-2H,12H2,(H,13,14)

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