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| CAS No.: | 822-35-5 |
|---|---|
| Name: | Cyclobutene |
| Molecular Structure: | |
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| Formula: | C4H6 |
| Molecular Weight: | 54.0916 |
| Synonyms: | Cyclobutene |
| EINECS: | 212-496-8 |
| Density: | 0.841g/cm3 |
| Boiling Point: | 2 °C at 760 mmHg |
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Specification
The Cyclobutene, with CAS registry number 822-35-5, has the systematic name of cyclobutene. This chemical is a cycloalkene. It is used in the chemical industry as a monomer for synthesis of some polymers and for a range of chemical syntheses. And the chemical formula of this chemical is C4H6. What's more, its EINECS is 212-496-8.
Physical properties of Cyclobutene: (1)ACD/LogP: 1.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.77; (4)ACD/LogD (pH 7.4): 1.77; (5)ACD/BCF (pH 5.5): 12.95; (6)ACD/BCF (pH 7.4): 12.95; (7)ACD/KOC (pH 5.5): 217.7; (8)ACD/KOC (pH 7.4): 217.7; (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: 1.473; (14)Molar Refractivity: 18.05 cm3; (15)Molar Volume: 64.2 cm3; (16)Polarizability: 7.15×10-24cm3; (17)Surface Tension: 30.9 dyne/cm; (18)Density: 0.841 g/cm3; (19)Enthalpy of Vaporization: 24.07 kJ/mol; (20)Boiling Point: 2 °C at 760 mmHg; (21)Vapour Pressure: 1690 mmHg at 25°C.
Preparation: this chemical can be prepared by toluene-4-sulfonic acid cyclobutyl ester. This reaction will need reagent t-BuOK and solvent dimethylsulfoxide. The reaction time is 2 hour(s) with reaction temperature of 70 ℃.
You can still convert the following datas into molecular structure:
(1)SMILES: C\1=C\CC/1
(2)InChI: InChI=1/C4H6/c1-2-4-3-1/h1-2H,3-4H2
(3)InChIKey: CFBGXYDUODCMNS-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C4H6/c1-2-4-3-1/h1-2H,3-4H2
(5)Std. InChIKey: CFBGXYDUODCMNS-UHFFFAOYSA-N