CAS No.2792-72-5,5,5,5-TRIFLUORO-DL-LEUCINE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	2792-72-5
Name:	5,5,5-TRIFLUORO-DL-LEUCINE
Article Data:	2

Formula:	C₆H₁₀F₃NO₂
Molecular Weight:	185.146
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-;
Density:	1.294 g/cm³
Melting Point:	273 °C
Boiling Point:	217.4 °C at 760 mmHg
Flash Point:	85.3 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26
PSA:	63.32000
LogP:	1.68710

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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