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Name |
Nonane,1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodo- |
EINECS | 253-994-5 |
CAS No. | 38550-34-4 | Density | 1.825 g/cm3 |
PSA | 0.00000 | LogP | 5.93880 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H6F13I | Boiling Point | 204.4 °C at 760 mmHg |
Molecular Weight | 488.03 | Flash Point | 88.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-iodononane;Tridecafluoroiodononane;2-Fluoro-6-nitrobenzoic Acid;2-Iodo-1H,1H,1H,2H,3H,3H-perfluorononane; |
Article Data | 1 |
The Nonane,1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodo-, with the CAS registry number 38550-34-4, is also known as Tridecafluoroiodononane. Its EINECS number is 253-994-5. This chemical's molecular formula is C9H6F13I and molecular weight is 488.03. What's more, its systematic name is 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodononane.
Physical properties of Nonane,1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodo- are: (1)ACD/LogP: 6.85; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.85; (4)ACD/LogD (pH 7.4): 6.85; (5)ACD/BCF (pH 5.5): 95080.55; (6)ACD/BCF (pH 7.4): 95080.55; (7)ACD/KOC (pH 5.5): 127320.12; (8)ACD/KOC (pH 7.4): 127320.12; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.357; (14)Molar Refractivity: 58.59 cm3; (15)Molar Volume: 267.4 cm3; (16)Polarizability: 23.22×10-24 cm3; (17)Surface Tension: 18.6 dyne/cm; (18)Density: 1.825 g/cm3; (19)Flash Point: 88.6 °C; (20)Enthalpy of Vaporization: 42.26 kJ/mol; (21)Boiling Point: 204.4 °C at 760 mmHg; (22)Vapour Pressure: 0.377 mmHg at 25°C.
Preparation: this chemical can be prepared by propene and 6H-tridecafluoro-6-iodo-hexane at the temperature of 100 °C. This reaction will need reagent benzoyl peroxide. The yield is about 83.5%.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: FC(F)(C(F)(F)CC(I)C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
(2)InChI: InChI=1/C9H6F13I/c1-3(23)2-4(10,11)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h3H,2H2,1H3
(3)InChIKey: REPFTMOJFHVIBT-UHFFFAOYAJ