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CAS No.: | 307-26-6 |
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Name: | 1,1,3,5,6-PENTACHLORONONAFLUOROHEXANE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C6Cl5F9 |
Molecular Weight: | 420.317 |
Synonyms: | 1,2,4,6,6-Pentachloro-1,1,2,3,3,4,5,5,6-nonafluorohexane;Hexane,1,1,3,5,6-pentachlorononafluoro- (6CI,7CI,8CI);hexane, 1,1,3,5,6-pentachloro-1,2,2,3,4,4,5,6,6-nonafluoro-; |
Density: | 1.797 g/cm3 |
Melting Point: | 203 °C |
Boiling Point: | 270.5 °C at 760 mmHg |
Flash Point: | 142.1 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 0.00000 |
LogP: | 5.99870 |
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The Hexane,1,1,3,5,6-pentachloro-1,2,2,3,4,4,5,6,6-nonafluoro-, with the CAS registry number 307-26-6, has the systematic name of 1,1,3,5,6-pentachloro-1,2,2,3,4,4,5,6,6-nonafluorohexane. And the molecular formula of this chemical is C6Cl5F9. It is a kind of organics, and should be stored in the dry and cool environment.
The physical properties of Hexane,1,1,3,5,6-pentachloro-1,2,2,3,4,4,5,6,6-nonafluoro- are as following: (1)ACD/LogP: 8.57; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.57; (4)ACD/LogD (pH 7.4): 8.57; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 1095751.25; (8)ACD/KOC (pH 7.4): 1095751.25; (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: 1.389; (14)Molar Refractivity: 55.36 cm3; (15)Molar Volume: 233.8 cm3; (16)Polarizability: 21.94×10-24cm3; (17)Surface Tension: 24.3 dyne/cm; (18)Density: 1.797 g/cm3; (19)Flash Point: 142.1 °C; (20)Enthalpy of Vaporization: 48.82 kJ/mol; (21)Boiling Point: 270.5 °C at 760 mmHg; (22)Vapour Pressure: 0.0113 mmHg at 25°C.
You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and in case of contacting 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(Cl)(C(F)(F)C(Cl)(Cl)F)C(F)(F)C(Cl)(F)C(Cl)(F)F
(2)InChI: InChI=1/C6Cl5F9/c7-1(12,4(16,17)5(9,10)18)3(14,15)2(8,13)6(11,19)20
(3)InChIKey: DVAVTWDOWVBESE-UHFFFAOYAM