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CAS No.: | 358-63-4 |
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Name: | TRIS(2,2,2-TRIFLUOROETHYL)PHOSPHATE |
Article Data: | 24 |
Molecular Structure: | |
Formula: | C6H6F9O4P |
Molecular Weight: | 344.071 |
Synonyms: | NSC 191836;Tris(2,2,2-trifluoroethyl) phosphate; |
Density: | 1.564 g/cm3 |
Melting Point: | -22℃ |
Boiling Point: | 176.2 °C at 760 mmHg |
Flash Point: | 60.4 °C |
Hazard Symbols: | Xi |
PSA: | 54.57000 |
LogP: | 3.83120 |
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The Ethanol,2,2,2-trifluoro-, phosphate (3:1), with the CAS registry number 358-63-4, has the systematic name and IUPAC name of tris(2,2,2-trifluoroethyl) phosphate. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C6H6F9O4P.
The characteristics of Ethanol,2,2,2-trifluoro-, phosphate (3:1) are as followings: (1)ACD/LogP: 3.39; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 54.57 Å2; (7)Index of Refraction: 1.317; (8)Molar Refractivity: 43.32 cm3; (9)Molar Volume: 219.9 cm3; (10)Polarizability: 17.17×10-24cm3; (11)Surface Tension: 21.3 dyne/cm; (12)Density: 1.564 g/cm3; (13)Flash Point: 60.4 °C; (14)Enthalpy of Vaporization: 39.56 kJ/mol; (15)Boiling Point: 176.2 °C at 760 mmHg; (16)Vapour Pressure: 1.48 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: FC(F)(F)COP(=O)(OCC(F)(F)F)OCC(F)(F)F
(2)InChI: InChI=1/C6H6F9O4P/c7-4(8,9)1-17-20(16,18-2-5(10,11)12)19-3-6(13,14)15/h1-3H2
(3)InChIKey: ZMQDTYVODWKHNT-UHFFFAOYAB