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| CAS No.: | 375-82-6 |
|---|---|
| Name: | 1H,1H-PERFLUORO-1-HEPTANOL |
| Molecular Structure: | |
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| Formula: | C7H3F13O |
| Molecular Weight: | 350.079 |
| Synonyms: | 1H,1H-Perfluoro-1-heptanol;2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoroheptan-1-ol;1,1-Dihydroperfluoroheptanol;1H,1H-Perfluoroheptan-1-ol;1H,1H-Perfluoroheptan-1-ol 97%;1H,1H-Perfluoroheptan-1-ol, 98%;1H,1H-Tridecafluoro-1-heptanol;2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoro-1-heptanol; |
| EINECS: | 206-796-8 |
| Density: | 1.645 g/cm3 |
| Boiling Point: | 138.1 °C at 760 mmHg |
| Flash Point: | 37.3 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 20.23000 |
| LogP: | 3.71750 |
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Specification
The 1-Heptanol,2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-, with the CAS registry number 375-82-6, is also known as 1H,1H-Perfluoro-1-heptanol. It belongs to the product categories of Fluorous Chemistry; Fluorous Compounds; Synthetic Organic Chemistry. Its EINECS number is 206-796-8. This chemical's molecular formula is C7H3F13O and molecular weight is 350.08. What's more, its systematic name is 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptan-1-ol.
Physical properties of 1-Heptanol,2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro- are: (1)ACD/LogP: 4.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.62; (4)ACD/LogD (pH 7.4): 4.62; (5)ACD/BCF (pH 5.5): 1907.85; (6)ACD/BCF (pH 7.4): 1907.84; (7)ACD/KOC (pH 5.5): 7759.09; (8)ACD/KOC (pH 7.4): 7759.06; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.285; (14)Molar Refractivity: 37.93 cm3; (15)Molar Volume: 212.6 cm3; (16)Polarizability: 15.03×10-24 cm3; (17)Surface Tension: 15.4 dyne/cm; (18)Density: 1.645 g/cm3; (19)Flash Point: 37.3 °C; (20)Enthalpy of Vaporization: 43.74 kJ/mol; (21)Boiling Point: 138.1 °C at 760 mmHg; (22)Vapour Pressure: 2.86 mmHg at 25°C.
Preparation: this chemical can be prepared by tridecafluoro-heptanoic acid at the temperature of 0-20 °C. This reaction will need reagent LiAlH4 and solvent tetrahydrofuran. The yield is about 70%.
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Uses of 1-Heptanol,2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-: it can be used to produce phosphoric acid dibutyl ester 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-heptyl ester. It will need reagent 40percent NaOH and solvents CCl4, H2O with the reaction time of 2 hours. This reaction will also need catalyst benzyltriehylammonium chloride. The yield is about 88%.
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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)Canonical SMILES: FC(F)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)CO
(2)InChI: InChI=1/C7H3F13O/c8-2(9,1-21)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)20/h21H,1H2
(3)InChIKey: STLNAVFVCIRZLL-UHFFFAOYAH