Ethyl 4,4,4-trifluoro-3-(trifluoromethyl)crotonate supplier

Name
ETHYL 4,4,4-TRIFLUORO-3-(TRIFLUOROMETHYL)CROTONATE
EINECS
CAS No. 1513-60-6
Article Data10
CAS DataBase
Density 1.359 g/cm³
Solubility
Melting Point
Formula C₇H₆F₆O₂
Boiling Point 178.708 °C at 760 mmHg
Molecular Weight 236.114
Flash Point 45.357 °C
Transport Information UN 3272
Appearance
Safety 16-26-36
Risk Codes 10-36/37/38
Molecular Structure
Hazard Symbols F
Synonyms Crotonicacid, 4,4,4-trifluoro-3-(trifluoromethyl)-, ethyl ester (6CI,7CI,8CI);Ethyl4,4,4-trifluoro-3-trifluoromethyl crotonate;Ethyl b,b-bis(trifluoromethyl)acrylate;ETHYL 4,4,4-Trifluoro-3-(trifluoromethyl) crotonate;
PSA 26.30000
LogP 2.60050

Ethyl 4,4,4-trifluoro-3-(trifluoromethyl)crotonate Specification

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

Product Name

ETHYL 4,4,4-TRIFLUORO-3-(TRIFLUOROMETHYL)CROTONATE

Ethyl 4,4,4-trifluoro-3-(trifluoromethyl)crotonate Specification

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