2-Propenoic acid,2-(trifluoromethyl)-, 2,2,2-trifluoroethyl ester supplier

Name
Trifluoroethylα-(trifluoromethyl)acrylate
EINECS
CAS No. 91520-39-7
Density 1.399g/cm³
Solubility
Melting Point
Formula C₆H₄F₆O₂
Boiling Point 143.878 °C at 760 mmHg
Molecular Weight 222.084
Flash Point 31.841 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,2,2-Trifluoroethyl2-trifluoromethylacrylate;2,2,2-Trifluoroethyl a-(trifluoromethyl)acrylate;
PSA 26.30000
LogP 2.21040

2-Propenoic acid,2-(trifluoromethyl)-, 2,2,2-trifluoroethyl ester Specification

The 2-Propenoic acid,2-(trifluoromethyl)-, 2,2,2-trifluoroethyl ester, with CAS registry number 91520-39-7, has the systematic name of 2,2,2-trifluoroethyl 2-(trifluoromethyl)prop-2-enoate. Besides this,it is also called Trifluoroethylα-(trifluoromethyl)acrylate. And the chemical formula of this chemical is C₆H₄F₆O₂.

Physical properties of 2-Propenoic acid,2-(trifluoromethyl)-, 2,2,2-trifluoroethyl ester: (1)ACD/LogP: 1.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 90; (6)ACD/BCF (pH 7.4): 90; (7)ACD/KOC (pH 5.5): 871; (8)ACD/KOC (pH 7.4): 871; (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: 1.327; (14)Molar Refractivity: 32.103 cm³; (15)Molar Volume: 158.736 cm³; (16)Polarizability: 12.727×10^-24cm³; (17)Surface Tension: 18.234 dyne/cm; (18)Density: 1.399 g/cm³; (19)Flash Point: 31.841 °C; (20)Enthalpy of Vaporization: 38.098 kJ/mol; (21)Boiling Point: 143.878 °C at 760 mmHg; (22)Vapour Pressure: 5.227 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)COC(=O)C(=C)C(F)(F)F
(2)InChI: InChI=1/C6H4F6O2/c1-3(6(10,11)12)4(13)14-2-5(7,8)9/h1-2H2
(3)InChIKey: IRQYOZQRDXJKSW-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C6H4F6O2/c1-3(6(10,11)12)4(13)14-2-5(7,8)9/h1-2H2
(5)Std. InChIKey: IRQYOZQRDXJKSW-UHFFFAOYSA-N

Product Name

Trifluoroethylα-(trifluoromethyl)acrylate

2-Propenoic acid,2-(trifluoromethyl)-, 2,2,2-trifluoroethyl ester Specification

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