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| CAS No.: | 92-51-3 |
|---|---|
| Name: | BICYCLOHEXYL |
| Article Data: | 309 |
| Molecular Structure: | |
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| Formula: | C12H22 |
| Molecular Weight: | 166.307 |
| Synonyms: | Bicyclohexyl(6CI,8CI);1,1'-Biphenyl, dodecahydro-;Cyclohexane, cyclohexyl-;Cyclohexylcyclohexane;Dicyclohexane;Dicyclohexyl;Dodecahydrobiphenyl;NSC59855; |
| EINECS: | 202-161-4 |
| Density: | 0.891 g/cm3 |
| Melting Point: | 3-4 °C(lit.) |
| Boiling Point: | 239 °C at 760 mmHg |
| Flash Point: | 92.2 °C |
| Appearance: | colourless liquid |
| Hazard Symbols: |
 Xi
|
| Safety: | 23-24/25 |
| PSA: | 0.00000 |
| LogP: | 4.14700 |
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Specification
The CAS register number of Bicyclohexane is 92-51-3. It also can be called as Dicyclohexyl and the IUPAC name about this chemical is cyclohexylcyclohexane. When you are using it, please do not breathe vapour and avoid contact with skin and eyes.
Physical properties about Bicyclohexane are: (1)ACD/LogP: 5.94; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.94; (4)ACD/LogD (pH 7.4): 5.94; (5)ACD/BCF (pH 5.5): 19159.51; (6)ACD/BCF (pH 7.4): 19159.51; (7)ACD/KOC (pH 5.5): 40449.89; (8)ACD/KOC (pH 7.4): 40449.89 ; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.484; (11)Molar Refractivity: 53.38 cm3; (12)Molar Volume: 186.5 cm3; (13)Polarizability: 21.16x10-24cm3; (14)Surface Tension: 32.8 dyne/cm; (15)Enthalpy of Vaporization: 45.66 kJ/mol; (16)Boiling Point: 239 °C at 760 mmHg; (17)Vapour Pressure: 0.0633 mmHg at 25°C.
Preparation: this chemical can be prepared by bromocyclohexane. This reaction will need reagent magnesium, diethyl ether.
Uses of Bicyclohexane: it can be used to produce 1-fluorobicyclohexyl at temperature of -75 ℃. This reaction will need reagent F2 and solvent CCl3F, CHCl3. The yield is about 70%.
You can still convert the following datas into molecular structure:
(1)SMILES: C1CC(CCC1)C2CCCCC2
(2)InChI: InChI=1/C12H22/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h11-12H,1-10H2
(3)InChIKey: WVIIMZNLDWSIRH-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C12H22/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h11-12H,1-10H2
(5)Std. InChIKey: WVIIMZNLDWSIRH-UHFFFAOYSA-N