2-Butenoic acid,4,4,4-trifluoro-3-(trifluoromethyl)-, ethyl ester (1513-60-6)

The Ethyl 4,4,4-trifluoro-3-(trifluoromethyl)crotonate with the CAS number 1513-60-6 is also called 2-Butenoic acid,4,4,4-trifluoro-3-(trifluoromethyl)-, ethyl ester. Both the systematic name and IUPAC name are ethyl 4,4,4-trifluoro-3-(trifluoromethyl)but-2-enoate. Its molecular formula is C₇H₆F₆O₂. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the Ethyl 4,4,4-trifluoro-3-(trifluoromethyl)crotonate are: (1)ACD/LogP: 4.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.48; (4)ACD/LogD (pH 7.4): 4.48; (5)ACD/BCF (pH 5.5): 1491.27; (6)ACD/BCF (pH 7.4): 1491.27; (7)ACD/KOC (pH 5.5): 6504.72; (8)ACD/KOC (pH 7.4): 6504.72; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.346; (14)Molar Refractivity: 37.06 cm³; (15)Molar Volume: 173.7 cm³; (16)Polarizability: 14.69×10^-24cm³; (17)Surface Tension: 19.6 dyne/cm; (18)Enthalpy of Vaporization: 41.5 kJ/mol; (19)Vapour Pressure: 0.976 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical is flammable. It is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Finally you should keep this chemical away from sources of ignition.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)/C(=C/C(=O)OCC)C(F)(F)F
(2)InChI: InChI=1/C7H6F6O2/c1-2-15-5(14)3-4(6(8,9)10)7(11,12)13/h3H,2H2,1H3
(3)InChIKey: CULZFNOUPBWSIZ-UHFFFAOYAY