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21652-57-3

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Basic Information
CAS No.: 21652-57-3
Name: 1-BROMO-1H,1H,2H,2H-PERFLUORODECANE
Article Data: 4
Molecular Structure:
Molecular Structure of 21652-57-3 (1-BROMO-1H,1H,2H,2H-PERFLUORODECANE)
Formula: C10H4BrF17
Molecular Weight: 527.019
Synonyms: 1-Bromo-1H,1H,2H,2H-perfluorodecane;1H,1H,2H,2H-Perfluorodecyl bromide;2-(n-Perfluorooctyl)ethyl bromide;
Density: 1.758 g/cm3
Melting Point: 26 °C
Boiling Point: 208 °C at 760 mmHg
Flash Point: 79.6 °C
Hazard Symbols: IrritantXi
PSA: 0.00000
LogP: 6.78080
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Specification

The CAS register number of 2-Perfluorooctylethyl bromide is 21652-57-3. It also can be called as 1H,1H,2H,2H-Perfluorodecyl bromide and the systematic name about this chemical is 10-bromo-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane.

Physical properties about 2-Perfluorooctylethyl bromide are: (1)ACD/LogP: 7.94; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 7.93; (4)ACD/LogD (pH 7.4): 7.93; (5)ACD/BCF (pH 5.5): 631804.06; (6)ACD/BCF (pH 7.4): 631804.06; (7)ACD/KOC (pH 5.5): 493886.72; (8)ACD/KOC (pH 7.4): 493886.72; (9)#Freely Rotating Bonds: 8; (10)Index of Refraction: 1.314; (11)Molar Refractivity: 58.61 cm3; (12)Molar Volume: 299.7 cm3; (13)Polarizability: 23.23x10-24cm3; (14)Surface Tension: 16.5 dyne/cm; (15)Enthalpy of Vaporization: 42.61 kJ/mol; (16)Boiling Point: 208 °C at 760 mmHg; (17)Vapour Pressure: 0.315 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCBr
(2)InChI: InChI=1/C10H4BrF17/c11-2-1-3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)10(26,27)28/h1-2H2
(3)InChIKey: TWWJQNJBBMHHAO-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C10H4BrF17/c11-2-1-3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)10(26,27)28/h1-2H2
(5)Std. InChIKey: TWWJQNJBBMHHAO-UHFFFAOYSA-N