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212563-43-4

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Basic Information
CAS No.: 212563-43-4
Name: 1-IODO-1H,1H-PERFLUOROHEPTANE
Molecular Structure:
Molecular Structure of 212563-43-4 (1-IODO-1H,1H-PERFLUOROHEPTANE)
Formula: C7H2F13I
Molecular Weight: 459.97
Synonyms: 1H, 1H-Tridecafluoro-1-iodoheptane;
Density: 1.965 g/cm3
Boiling Point: 161.5 °C at 760 mmHg
Flash Point: 66.1 °C
Hazard Symbols: IrritantXi
Safety: 23-24/25
PSA: 0.00000
LogP: 5.16020
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Specification

The Heptane, 1, 1, 1, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6-tridecafluoro-7-iodo-, with the CAS registry number of 212563-43-4, is also known as 1H, 1H-Tridecafluoro-1-iodoheptane. This chemical's molecular formula is C7H2F13I and molecular weight is 459.97. What's more, its systematic name is 1, 1, 1, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6-Tridecafluoro-7-iodoheptane. When you are using this chemical, do not breathe gas/fumes/vapour/spray and be careful to avoid contact with skin and eyes. 

Physical properties about Heptane, 1, 1, 1, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6-tridecafluoro-7-iodo- are: (1)ACD/LogP: 6.59; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.59; (4)ACD/LogD (pH 7.4): 6.59; (5)ACD/BCF (pH 5.5): 60457.11; (6)ACD/BCF (pH 7.4): 60457.11; (7)ACD/KOC (pH 5.5): 92074.92; (8)ACD/KOC (pH 7.4): 92074.92; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.342; (14)Molar Refractivity: 49.37 cm3; (15)Molar Volume: 234 cm3; (16)Polarizability: 19.57×10-24 cm3; (17)Surface Tension: 17.5 dyne/cm; (18)Density: 1.965 g/cm3; (19)Flash Point: 66.1 °C; (20)Enthalpy of Vaporization: 38.17 kJ/mol; (21)Boiling Point: 161.5 °C at 760 mmHg; (22)Vapour Pressure: 2.96 mmHg at 25 °C.

You can still convert the following data into molecular structure:
(1) SMILES: FC(F)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)CI
(2) InChI: InChI=1/C7H2F13I/c8-2(9,1-21)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)20/h1H2
(3) InChIKey: GBDROMNKGSCMDH-UHFFFAOYAF