CAS No.355-74-8,2,2,3,3,4,4,5,5-OCTAFLUORO-1,6-HEXANEDIOL Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	355-74-8
Name:	2,2,3,3,4,4,5,5-OCTAFLUORO-1,6-HEXANEDIOL

Formula:	C₆H₆F₈O₂
Molecular Weight:	262.1
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-;
EINECS:	-0
Density:	1.575 g/cm³
Melting Point:	66-70 °C(lit.)
Boiling Point:	262.4 °C at 760 mmHg 100 °C3 mm Hg(lit.)
Flash Point:	112.5 °C
Solubility:	Soluble in water.
Appearance:	white to off-white crystalline solid
Hazard Symbols:	Xn
Risk Codes:	36/37/38-20/21/22
Safety:	22-24/25
PSA:	40.46000
LogP:	1.51220

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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