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| CAS No.: | 355-75-9 |
|---|---|
| Name: | Decafluorocyclohexene |
| Molecular Structure: | |
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| Formula: | C6F10 |
| Molecular Weight: | 262.05 |
| Synonyms: | Cyclohexene,decafluoro- (6CI,7CI,8CI,9CI);Cyclohexene,1,2,3,3,4,4,5,5,6,6-decafluoro-;NSC 93779;Perfluorocyclohexene; |
| EINECS: | 206-592-9 |
| Density: | 1.67 g/cm3 |
| Melting Point: | -50 °C |
| Boiling Point: | 65.4 °C at 760 mmHg |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 0.00000 |
| LogP: | 3.69180 |
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Specification
The Decafluorocyclohexene, with the CAS registry number 355-75-9, is also known as Cyclohexene,1,2,3,3,4,4,5,5,6,6-decafluoro-. Its EINECS number is 206-592-9. This chemical's molecular formula is C6F10 and molecular weight is 262.05. What's more, its IUPAC name is 1,2,3,3,4,4,5,5,6,6-decafluorocyclohexene. Its classification code is Drug/Therapeutic Agent.
Physical properties of Decafluorocyclohexene are: (1)ACD/LogP: 5.40; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.4; (4)ACD/BCF (pH 5.5): 7540.04; (5)ACD/KOC (pH 5.5): 20749.86; (6)Index of Refraction: 1.291; (7)Molar Refractivity: 28.45 cm3; (8)Molar Volume: 156.1 cm3; (9)Surface Tension: 13.1 dyne/cm; (10)Density: 1.67 g/cm3; (11)Enthalpy of Vaporization: 29.46 kJ/mol; (12)Boiling Point: 65.4 °C at 760 mmHg; (13)Vapour Pressure: 170 mmHg at 25°C.
Preparation: this chemical can be prepared by undecafluoro-cyclohexane. This reaction will need reagent potassium hydroxide and solvent D2O with the reaction time of 20 min. The yield is about 75%.
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Uses of Decafluorocyclohexene: it can be used to produce decafluoro-1,2-epoxycyclohexane at the ambient temperature. It will need reagent sodium hypochlorite and solvent H2O, acetonitrile with the reaction time of 1 hour. The yield is about 92%.
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When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.
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)F)F
(2)InChI: InChI=1S/C6F10/c7-1-2(8)4(11,12)6(15,16)5(13,14)3(1,9)10
(3)InChIKey: ZFFLXJVVPHACEG-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LCLo | inhalation | 8000ppm (8000ppm) | Anaesthesia. Vol. 19, Pg. 167, 1964. |