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Leucine,5,5,5-trifluoro-

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Name

Leucine,5,5,5-trifluoro-

EINECS N/A
CAS No. 2792-72-5 Density 1.294 g/cm3
PSA 63.32000 LogP 1.68710
Solubility N/A Melting Point 273 °C
Formula C6H10F3NO2 Boiling Point 217.4 °C at 760 mmHg
Molecular Weight 185.146 Flash Point 85.3 °C
Transport Information N/A Appearance N/A
Safety 26 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 2792-72-5 (5,5,5-TRIFLUORO-DL-LEUCINE) Hazard Symbols IrritantXi
Synonyms

DL-Leucine,5,5,5-trifluoro-;Leucine, 5,5,5-trifluoro-, DL- (8CI);5,5,5-Trifluoro-DL-leucine;5,5,5-Trifluoroleucine;5',5',5'-Trifluoroleucine;DL-5,5,5-Trifluoroleucine;DL-5',5',5'-Trifluoroleucine;NSC 90440;Norvaline,5,5,5-trifluoro-4-methyl-, DL-;

Article Data 2

Leucine,5,5,5-trifluoro- Specification

The CAS register number of Leucine,5,5,5-trifluoro- is 2792-72-5. It also can be called as 5,5,5-Trifluoro-DL-leucine and the IUPAC name about this chemical is 2-amino-5,5,5-trifluoro-4-methylpentanoic acid. The molecular formula about this chemical is C6H10F3NO2 and the molecular weight is 185.14. This chemical is irritating to eyes, respiratory system and skin. It may cause inflammation to the skin or other mucous membranes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

Physical properties about Leucine,5,5,5-trifluoro- are: (1)ACD/LogP: 1.00; (2)ACD/LogD (pH 5.5): -1.5; (3)ACD/LogD (pH 7.4): -1.52; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 29.54 Å2; (12)Index of Refraction: 1.408; (13)Molar Refractivity: 35.32 cm3; (14)Molar Volume: 143 cm3; (15)Polarizability: 14x10-24cm3; (16)Surface Tension: 31.9 dyne/cm; (17)Density: 1.294 g/cm3; (18)Flash Point: 85.3 °C; (19)Enthalpy of Vaporization: 50 kJ/mol; (20)Boiling Point: 217.4 °C at 760 mmHg; (21)Vapour Pressure: 0.0507 mmHg at 25 °C.

Uses of Leucine,5,5,5-trifluoro-: it can be used to produce (DL)-2-(N-acetylamino)-4-methyl-5,5,5-trifluoropentanoic acid with acetic acid anhydride. The reaction temperature is 0 °C. The yield is about 79%.

 Leucine,5,5,5-trifluoro- can be used to produce (DL)-2-(N-acetylamino)-4-methyl-5,5,5-trifluoropentanoic acid with acetic acid anhydride.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)C(C[C@H](N)C(=O)O)C
(2)InChI: InChI=1/C6H10F3NO2/c1-3(6(7,8)9)2-4(10)5(11)12/h3-4H,2,10H2,1H3,(H,11,12)/t3?,4-/m0/s1
(3)InChIKey: XFGVJLGVINCWDP-BKLSDQPFBG
(4)Std. InChI: InChI=1S/C6H10F3NO2/c1-3(6(7,8)9)2-4(10)5(11)12/h3-4H,2,10H2,1H3,(H,11,12)/t3?,4-/m0/s1
(5)Std. InChIKey: XFGVJLGVINCWDP-BKLSDQPFSA-N

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