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| CAS No.: | 307-70-0 |
|---|---|
| Name: | 1H,1H,11H-EICOSAFLUORO-1-UNDECANOL |
| Molecular Structure: | |
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| Formula: | C11H4F20O |
| Molecular Weight: | 532.12 |
| Synonyms: | 1H,1H,11H-Eicosafluoro-1-undecanol;2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-Eicosafluoro-1-undecanol;NSC521191;a,a,w-Trihydroperfluoroundecanol; |
| EINECS: | 206-209-5 |
| Density: | 1.676 g/cm3 |
| Melting Point: | 95 °C |
| Boiling Point: | 230.6 °C at 760 mmHg |
| Flash Point: | 93.2 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 20.23000 |
| LogP: | 5.96150 |
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Specification
The 1-Undecanol,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-eicosafluoro-, with the CAS registry number 307-70-0, is also known as 1H,1H, 11H-Eicosafluoro-1-undecanol. Its EINECS registry number is 206-209-5. This chemical's molecular formula is C11H4F20O and molecular weight is 532.12. Its systematic name is called 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecan-1-ol.
Physical properties of 1-Undecanol,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-eicosafluoro-: (1)ACD/LogP: 7.14; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 7.14; (4)ACD/LogD (pH 7.4): 7.14; (5)ACD/BCF (pH 5.5): 157235.59; (6)ACD/BCF (pH 7.4): 157235.06; (7)ACD/KOC (pH 5.5): 182502.22; (8)ACD/KOC (pH 7.4): 182501.61; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 11; (12)Index of Refraction: 1.289; (13)Molar Refractivity: 57.47 cm3; (14)Molar Volume: 317.3 cm3; (15)Surface Tension: 15.5 dyne/cm; (16)Density: 1.676 g/cm3; (17)Flash Point: 93.2 °C; (18)Enthalpy of Vaporization: 54.31 kJ/mol; (19)Boiling Point: 230.6 °C at 760 mmHg; (20)Vapour Pressure: 0.0124 mmHg at 25°C.
Uses of 1-Undecanol,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-eicosafluoro-: it can be used to produce 11-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-eicosafluoro-undecane at temperature of 60 °C. This reaction will need reagent thionyl chloride, pyridine and solvent benzene with reaction time of 8 hours. The yield is about 62%.
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When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. 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. Whenever you will contact it, please 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)C(F)(F)C(F)(F)C(F)F)C(F)(F)CO
(2)InChI: InChI=1/C11H4F20O/c12-2(13)4(16,17)6(20,21)8(24,25)10(28,29)11(30,31)9(26,27)7(22,23)5(18,19)3(14,15)1-32/h2,32H,1H2
(3)InChIKey: GJYLSFCFHFUODO-UHFFFAOYAG