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1,6-Hexanediol,2,2,3,3,4,4,5,5-octafluoro-

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Name

1,6-Hexanediol,2,2,3,3,4,4,5,5-octafluoro-

EINECS -0
CAS No. 355-74-8 Density 1.575 g/cm3
PSA 40.46000 LogP 1.51220
Solubility Soluble in water. Melting Point 66-70 °C(lit.)
Formula C6H6F8O2 Boiling Point 262.4 °C at 760 mmHg 100 °C3 mm Hg(lit.)
Molecular Weight 262.1 Flash Point 112.5 °C
Transport Information N/A Appearance white to off-white crystalline solid
Safety 22-24/25 Risk Codes 36/37/38-20/21/22
Molecular Structure Molecular Structure of 355-74-8 (2,2,3,3,4,4,5,5-OCTAFLUORO-1,6-HEXANEDIOL) Hazard Symbols HarmfulXn
Synonyms

1,6-Dihydroxy-2,2,3,3,4,4,5,5-octafluorohexane;2,2,3,3,4,4,5,5-Octafluoro-1,6-hexanediol;2,2,3,3,4,4,5,5-Octafluorohexanediol;A 7412;C 6DI0L;2,2,3,3,4,4,5,5-octafluorohexane-1,6-diol;1,6-Hexanediol, 2,2,3,3,4,4,5,5-octafluoro-;

 

1,6-Hexanediol,2,2,3,3,4,4,5,5-octafluoro- Specification

The 1,6-Hexanediol,2,2,3,3,4,4,5,5-octafluoro-, with the CAS registry number 355-74-8, has the systematic name of 2,2,3,3,4,4,5,5-octafluorohexane-1,6-diol. It is a kind of white to off-white crystalline solid, and belongs to the following product categories: Fluorous Chemistry; Fluorous Compounds; Synthetic Organic Chemistry; Alcohols; Monomers; Polymer Science. And the molecular formula of the chemical is C6H6F8O2.

The characteristics of 1,6-Hexanediol,2,2,3,3,4,4,5,5-octafluoro- are as followings: (1)ACD/LogP: 1.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.81; (4)ACD/LogD (pH 7.4): 1.81; (5)ACD/BCF (pH 5.5): 13.9; (6)ACD/BCF (pH 7.4): 13.9; (7)ACD/KOC (pH 5.5): 229.02; (8)ACD/KOC (pH 7.4): 229.02; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.331; (14)Molar Refractivity: 34.08 cm3; (15)Molar Volume: 166.3 cm3; (16)Polarizability: 13.51×10-24cm3; (17)Surface Tension: 22.1 dyne/cm; (18)Density: 1.575 g/cm3; (19)Flash Point: 112.5 °C; (20)Enthalpy of Vaporization: 58.09 kJ/mol; (21)Boiling Point: 262.4 °C at 760 mmHg; (22)Vapour Pressure: 0.00155 mmHg at 25°C. 

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin, and it is also harmful by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Do not breathe dust and then try to avoid contacting with skin and eyes.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: FC(F)(C(F)(F)C(F)(F)CO)C(F)(F)CO
(2)InChI: InChI=1/C6H6F8O2/c7-3(8,1-15)5(11,12)6(13,14)4(9,10)2-16/h15-16H,1-2H2
(3)InChIKey: NHEKBXPLFJSSBZ-UHFFFAOYAJ

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