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| CAS No.: | 306-98-9 |
|---|---|
| Name: | PERFLUORO-1,2-DIMETHYLCYCLOHEXANE |
| Molecular Structure: | |
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|
|
| Formula: | C8F16 |
| Molecular Weight: | 400.062 |
| Synonyms: | Cyclohexane,decafluoro-1,2-bis(trifluoromethyl)- (7CI,8CI);Perfluoro-1,2-dimethylcyclohexane;1,1,2,2,3,3,4,4,5,6-Decafluoro-5,6-bis(trifluoromethyl)cyclohexane;Cyclohexane,1,2-dimethyl,perfluoro;Decafluoro-1,2-bis-trifluoromethyl-cyclohexane; |
| EINECS: | 206-195-0 |
| Density: | 1.75 g/cm3 |
| Melting Point: | -70 °C |
| Boiling Point: | 101.5 °C at 760 mmHg |
| Flash Point: | 14.2 °C |
| Solubility: | Sparingly soluble in most common solvents and insoluble in water |
| Appearance: | Clear colourless odourless liquid |
| Hazard Symbols: |
 F, Xi
|
| Risk Codes: | 11-36/37/38 |
| Safety: | 16-23 26-33-36 |
| Transport Information: | UN 1993 3 |
| PSA: | 0.00000 |
| LogP: | 5.08240 |
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Specification
The Cyclohexane,1,1,2,2,3,3,4,4,5,6-decafluoro-5,6-bis(trifluoromethyl)-, with the CAS registry number 306-98-9, is also known as Perfluoro-1,2-dimethylcyclohexane. Its EINECS number is 206-195-0. It belongs to the product categories of Alkyl; Halogenated Hydrocarbons; Organic Building Blocks. This chemical's molecular formula is C8F16 and molecular weight is 400.06. What's more, its systematic name is 1,1,2,2,3,3,4,4,5,6-Decafluoro-5,6-bis(trifluoromethyl)cyclohexane.
Physical properties of Cyclohexane,1,1,2,2,3,3,4,4,5,6-decafluoro-5,6-bis(trifluoromethyl)- are: (1)ACD/LogP: 7.34; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.34; (4)ACD/LogD (pH 7.4): 7.34; (5)ACD/BCF (pH 5.5): 223322.64; (6)ACD/BCF (pH 7.4): 223322.64; (7)ACD/KOC (pH 5.5): 234607.19; (8)ACD/KOC (pH 7.4): 234607.19; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.273; (14)Molar Refractivity: 39.01 cm3; (15)Molar Volume: 227.5 cm3; (16)Polarizability: 15.46×10-24 cm3; (17)Surface Tension: 13.6 dyne/cm; (18)Density: 1.75 g/cm3; (19)Flash Point: 14.2 °C; (20)Enthalpy of Vaporization: 32.66 kJ/mol; (21)Boiling Point: 101.5 °C at 760 mmHg; (22)Vapour Pressure: 40.5 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is highly flammable and 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 keep it away from sources of ignition - No smoking, and wear suitable protective clothing, gloves and eye/face protection. What's more, you should take precautionary measures against static discharges.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1(C(C(C(C(C1(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F)(C(F)(F)F)F
(2)InChI: InChI=1S/C8F16/c9-1(7(19,20)21)2(10,8(22,23)24)4(13,14)6(17,18)5(15,16)3(1,11)12
(3)InChIKey: GHBZJUJZNRLHBI-UHFFFAOYSA-N