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| CAS No.: | 336-07-2 |
|---|---|
| Name: | 1H,6H-PERFLUOROHEXANE |
| Molecular Structure: | |
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| Formula: | C6H2F12 |
| Molecular Weight: | 302.063 |
| Synonyms: | 1,1,2,2,3,3,4,4,5,5,6,6-Dodecafluorohexane;α,w-Dihydroperfluorohexane;1H,6H-Dodecafluorohexane;1H,6H-dodecafluoro-hexane; |
| Density: | 1.557 g/cm3 |
| Boiling Point: | 94.2 °C at 760 mmHg |
| Flash Point: | 16.4 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 0.00000 |
| LogP: | 4.05780 |
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Specification
The Hexane,1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-, with the CAS registry number 336-07-2, is also known as 1H,6H-Dodecafluorohexane. This chemical's molecular formula is C6H2F12 and molecular weight is 302.6. What's more, its systematic name is 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane.
Physical properties of Hexane,1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro- are: (1)ACD/LogP: 3.58; (2)# of Rule of 5 Violations: 0; (3)#Freely Rotating Bonds: 5; (4)Index of Refraction: 1.258; (5)Molar Refractivity: 31.59 cm3; (6)Molar Volume: 193.8 cm3; (7)Polarizability: 12.52×10-24cm3; (8)Surface Tension: 11.8 dyne/cm; (9)Density: 1.557 g/cm3; (10)Flash Point: 16.4 °C; (11)Enthalpy of Vaporization: 32 kJ/mol; (12)Boiling Point: 94.2 °C at 760 mmHg; (13)Vapour Pressure: 54.6 mmHg at 25°C.
Preparation: this chemical can be prepared by 1-chloro-1H,6H-dodecafluoro-hexane at the temperature of 70 °C. This reaction will need reagent Zn, hydrazine hydrate and solvent dimethylformamide with the reaction time of 2 hours. The yield is about 95%.
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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, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(C(F)(F)C(F)F)C(F)(F)C(F)(F)C(F)F
(2)InChI: InChI=1S/C6H2F12/c7-1(8)3(11,12)5(15,16)6(17,18)4(13,14)2(9)10/h1-2H
(3)InChIKey: UYDBQWIWVMBDME-UHFFFAOYSA-N