CAS No.90177-96-1,2,2,3,3,4,4,5,5,6,6,7,7-DODECAFLUORO-1,8-OCTANEDIOL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	90177-96-1
Name:	2,2,3,3,4,4,5,5,6,6,7,7-DODECAFLUORO-1,8-OCTANEDIOL

Formula:	C₈H₆F₁₂O₂
Molecular Weight:	362.11
Synonyms:	2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoro-1,8-octanediol;2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluorooctanediol;C 8DI0L;2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoro-;1H,1H,8H,8H-Perfluorooctane-1,8-diol98%;
Density:	1.636g/cm³
Melting Point:	80-83°C
Boiling Point:	247.3 °C at 760 mmHg
Flash Point:	103.4 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	40.46000
LogP:	2.78280

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Specification

The 1H,1H,8H,8H-Perfluorooctane-1,8-diol with cas registry number of 90177-96-1, has systematic name of 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctane-1,8-diol. And it is also called 1,8-Octanediol, 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-. The 1H,1H,8H,8H-Perfluorooctane-1,8-diol belongs to the following product categories: (1)Fluorous Chemistry; (2)Fluorous Compounds; (3)Synthetic Organic Chemistry.

Physical properties about this chemical are: (1)ACD/LogP: 3.59; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 9; (6)Polar Surface Area: 18.46 Å²; (7)Index of Refraction: 1.32; (8)Molar Refractivity: 43.94 cm³; (9)Molar Volume: 221.2 cm³; (10)Polarizability: 17.41×10^-24cm³; (11)Surface Tension: 20.1 dyne/cm; (12)Enthalpy of Vaporization: 56.29 kJ/mol; (13)Vapour Pressure: 0.00423 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 1H,1H,8H,8H-Perfluorooctane-1,8-diol irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact 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)C(F)(F)C(F)(F)C(F)(F)CO)C(F)(F)CO;
(2)InChI: InChI=1/C8H6F12O2/c9-3(10,1-21)5(13,14)7(17,18)8(19,20)6(15,16)4(11,12)2-22/h21-22H,1-2H2;
(3)InChIKey: XZJPYETUABEQFI-UHFFFAOYAA;
(4)Std. InChI: InChI=1S/C8H6F12O2/c9-3(10,1-21)5(13,14)7(17,18)8(19,20)6(15,16)4(11,12)2-22/h21-22H,1-2H2;
(5)Std. InChIKey: XZJPYETUABEQFI-UHFFFAOYSA-N.