Product Name

  • Name

    12-Bromo-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-heneicosafluorododecane

  • EINECS
  • CAS No. 332136-76-2
  • Density 1.768 g/cm3
  • Solubility
  • Melting Point
  • Formula C12H4BrF21
  • Boiling Point 243.134 °C at 760 mmHg
  • Molecular Weight 627.03
  • Flash Point 100.844 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 332136-76-2 (12-Bromo-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-heneicosafluorododecane)
  • Hazard Symbols
  • Synonyms 12-Bromo-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-heneicosafluorododecane;
  • PSA 0.00000
  • LogP 8.05140

2-Perfluorodecylethyl bromide Specification

With the CAS registry number 332136-76-2, the systematic name of 2-Perfluorodecylethyl bromide is 12-Bromo-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluorododecane. In addition, its molecular formula is C12H4BrF21 and its molecular weight is 627.03. 

The other characteristics of 2-Perfluorodecylethyl bromide can be summarized as: (1)ACD/LogP: 8.44; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 10; (4)ACD/LogD (pH 7.4): 10; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 4582216; (8)ACD/KOC (pH 7.4): 4582216; (9)H bond acceptors: 0; (10)H bond donors: 0; (11)Freely Rotating Bonds: 10; (12)Index of Refraction: 1.311; (13)Molar Refractivity: 68.471 cm3; (14)Molar Volume: 354.682 cm3; (15)Polarizability: 27.144×10-24cm3; (16)Surface Tension: 16.267 dyne/cm; (17)Density: 1.768 g/cm3; (18)Flash Point: 100.844 °C; (19)Enthalpy of Vaporization: 46.069 kJ/mol; (20)Boiling Point: 243.134 °C at 760 mmHg; (21)Vapour Pressure: 0.051 mmHg at 25 °C.

People can use the following data to convert to the molecule 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)C(F)(F)C(F)(F)CCBr
(2)InChI:InChI=1/C12H4BrF21/c13-2-1-3(14,15)4(16,17)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)11(30,31)12(32,33)34/h1-2H2
(3)InChIKey:FUNGIPYUUZNTQZ-UHFFFAOYAI
(4)Std. InChI:InChI=1S/C12H4BrF21/c13-2-1-3(14,15)4(16,17)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)11(30,31)12(32,33)34/h1-2H2
(5)Std. InChIKey:FUNGIPYUUZNTQZ-UHFFFAOYSA-N

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