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4,4,5,5,6,6,6-Heptafluorohexan-1-ol

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Name

4,4,5,5,6,6,6-Heptafluorohexan-1-ol

EINECS N/A
CAS No. 679-02-7 Density 1.396 g/cm3
PSA 20.23000 LogP 2.59180
Solubility N/A Melting Point N/A
Formula C6H7F7O Boiling Point 97.9 °C at 760 mmHg
Molecular Weight 228.11 Flash Point 13 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 679-02-7 (4,4,5,5,6,6,6-Heptafluorohexan-1-ol) Hazard Symbols IrritantXi
Synonyms

HEPTAFLUORO-1-HEXANOL;3-(PERFLUOROPROPYL)PROPAN-1-OL;4,4,5,5,6,6,6-HEPTAFLUOROHEXAN-1-OL;4,4,5,5,6,6,6-HEPTAFLUORO-1-HEXANOL;3:3 FTOH;1H,1H,2H,2H,3H,3H-PERFLUOROHEXAN-1-OL;4,4,5,5,6,6,6-Heptafluorohexan-1-ol 95%;4,4,5,5,6,6,6-Heptafluorohexan-1-ol95%

 

4,4,5,5,6,6,6-Heptafluorohexan-1-ol Specification

The 4,4,5,5,6,6,6-Heptafluorohexan-1-ol, with the CAS registry number 679-02-7, is also known as 1-Hexanol, 4,4,5,5,6,6,6-heptafluoro-. Its molecular formula is C6H7F7O and its molecular weight is 228.11.

Other characteristics of the 4,4,5,5,6,6,6-Heptafluorohexan-1-ol can be summarised as followings: (1)ACD/LogP: 1.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.29; (4)ACD/LogD (pH 7.4): 1.29; (5)ACD/BCF (pH 5.5): 5.6; (6)ACD/BCF (pH 7.4): 5.6; (7)ACD/KOC (pH 5.5): 119.46; (8)ACD/KOC (pH 7.4): 119.46; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.32; (14)Molar Refractivity: 32.42 cm3; (15)Molar Volume: 163.3 cm3; (16)Polarizability: 12.85×10-24cm3; (17)Surface Tension: 18.6 dyne/cm; (18)Density: 1.396 g/cm3; (19)Flash Point: 13 °C; (20)Enthalpy of Vaporization: 39.32 kJ/mol; (21)Boiling Point: 97.9 °C at 760 mmHg; (22)Vapour Pressure: 23.7 mmHg at 25°C.

Production method of the 4,4,5,5,6,6,6-Heptafluorohexan-1-ol: It could be obtained by the reactant of 4,4,5,5,6,6,6-heptafluorohexyl acetate. This reaction needs the reagent of aq NaOH. The yield is 91 %. In addition, this reaction should be taken for 3 hours by the heating.

the 4,4,5,5,6,6,6-Heptafluorohexan-1-ol could be obtained by the reactant of 4,4,5,5,6,6,6-heptafluorohexyl acetate

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. 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(F)(C(F)(F)CCCO)C(F)(F)F
2.InChI: InChI=1/C6H7F7O/c7-4(8,2-1-3-14)5(9,10)6(11,12)13/h14H,1-3H2
3.InChIKey: VACKBPFJJWRSAO-UHFFFAOYAG

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