The CAS register number of Perfluorohexyl bromide is 335-56-8. It also can be called as n-Perfluorohexyl bromide and the IUPAC name about this chemical is 1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane. The molecular formula about this chemical is C6BrF13 and the molecular weight is 398.95. This chemical is a 6-carbon perfluorocarbon radiopaque compound.
Physical properties about Perfluorohexyl bromide are: (1)ACD/LogP: 6.84; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.84; (4)ACD/LogD (pH 7.4): 6.84; (5)ACD/BCF (pH 5.5): 93621.47; (6)ACD/BCF (pH 7.4): 93621.47; (7)ACD/KOC (pH 5.5): 125918.5; (8)ACD/KOC (pH 7.4): 125918.5; (9)#Freely Rotating Bonds: 4; (10)Index of Refraction: 1.299; (11)Molar Refractivity: 39.5 cm3; (12)Molar Volume: 211.8 cm3; (13)Polarizability: 15.65x10-24cm3; (14)Surface Tension: 15 dyne/cm; (15) Enthalpy of Vaporization: 32.38 kJ/mol; (16)Boiling Point: 98.4 °C at 760 mmHg; (17)Vapour Pressure: 45.9 mmHg at 25°C.
Preparation: this chemical can be prepared by 6H-tridecafluoro-hexane. This reaction will need reagent CBr4. The reaction time is 24 hour(s) with reaction temperature of 300 ℃. The yield is about 38%.
Uses of Perfluorohexyl bromide: it can be used to produce perfluorohexyl fluorosulfate at temperature of 40 °C. This reaction will need reagent HOSO2F, KOSO2F and catalyst bromine with reaction time of 2 hours. The yield is about 80%.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
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)F
(2)InChI: InChI=1/C6BrF13/c7-5(16,17)3(12,13)1(8,9)2(10,11)4(14,15)6(18,19)20
(3)InChIKey: JTYRBFORUCBNHJ-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C6BrF13/c7-5(16,17)3(12,13)1(8,9)2(10,11)4(14,15)6(18,19)20
(5)Std. InChIKey: JTYRBFORUCBNHJ-UHFFFAOYSA-N
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