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Basic Information
CAS No.: 307-43-7
Name: 1-bromohenicosafluorodecane
Molecular Structure:
Molecular Structure of 307-43-7 (1-bromohenicosafluorodecane)
Formula: C10BrF21
Molecular Weight: 598.98
Synonyms: Decane,1-bromoheneicosafluoro- (8CI);1-Bromoperfluorodecane;Perflubrodec;Perfluorodecylbromide;
EINECS: 206-201-1
Density: 1.862g/cm3
Boiling Point: 184.7 °C at 760 mmHg
Flash Point: 65.5 °C
PSA: 0.00000
LogP: 7.61880
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Specification

The Perfluorodecyl bromide, with CAS registry number 307-43-7, has the systematic name of 1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane. And its IUPAC name is the same one. And its classification codes are Oxygen Carrier and Treatment of Acute Anemia. What's more, its EINECS is 206-201-1.

Physical properties of Perfluorodecyl bromide: (1)ACD/LogP: 10.40; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 10.4; (4)ACD/LogD (pH 7.4): 10.4; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.294; (14)Molar Refractivity: 59.2 cm3; (15)Molar Volume: 321.6 cm3; (16)Polarizability: 23.47×10-24cm3; (17)Surface Tension: 14.9 dyne/cm; (18)Enthalpy of Vaporization: 40.37 kJ/mol; (19)Vapour Pressure: 0.992 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(C(F)(F)C(Br)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
(2)InChI: InChI=1/C10BrF21/c11-9(28,29)7(24,25)5(20,21)3(16,17)1(12,13)2(14,15)4(18,19)6(22,23)8(26,27)10(30,31)32
(3)InChIKey: JCAULFRGWRHHIG-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C10BrF21/c11-9(28,29)7(24,25)5(20,21)3(16,17)1(12,13)2(14,15)4(18,19)6(22,23)8(26,27)10(30,31)32
(5)Std. InChIKey: JCAULFRGWRHHIG-UHFFFAOYSA-N