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| CAS No.: | 5009-27-8 |
|---|---|
| Name: | Cyclopropanone |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C3H4O |
| Molecular Weight: | 56.0642 |
| Synonyms: | cyclopropanone |
| Density: | 1.127 g/cm3 |
| Melting Point: | 164 °C(Solv: ethanol (64-17-5)) |
| Boiling Point: | 91.8 °C at 760 mmHg |
| Flash Point: | 2.8 °C |
| PSA: | 17.07000 |
| LogP: | 0.34930 |
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- Total:10 Page 1 of 1 1
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Specification
The Cyclopropanone has CAS registry number 5009-27-8. This chemical's molecular formula is C3H4O and molecular weight is 56.0633. What's more, its IUPAC name is Cyclopropanone. Cyclopropanone is an organic compound consisting of a cyclopropane carbon framework with a ketone functional group. The parent compound is labile with melting point -90 °C and has been prepared by reaction of Ketene with Diazomethane at -145 °C. Derivatives of cyclopropanone are of some interest to organic chemistry.
Physical properties about Cyclopropanone are: (1)ACD/LogP: -0.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.93; (4)ACD/LogD (pH 7.4): -0.93; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 7.43; (8)ACD/KOC (pH 7.4): 7.43; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.473; (14)Molar Refractivity: 13.96 cm3; (15)Molar Volume: 49.7 cm3; (16)Surface Tension: 40.7 dyne/cm; (17)Density: 1.127 g/cm3; (18)Flash Point: 2.8 °C; (19)Enthalpy of Vaporization: 33.17 kJ/mol; (20)Boiling Point: 91.8 °C at 760 mmHg; (21)Vapour Pressure: 53 mmHg at 25 °C.
Uses: 1.) in organic synthesis the use of Cyclopropanone itself is substituted by that of synthons like acetals cyclopropanone ethyl hemiacetal or Cyclopropanone ethyl trimethylsilyl acetal. 2.) it is used to produce other chemicals. For example, it is used to produce 1-(Phenethylthio)cyclopropanol. The reaction needs solvent CH2Cl2. The reaction time is 16 hours with reaction temperature of -30 °C. The yield is about 46 %.
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You can still convert the following datas into molecular structure:
(1) SMILES: O=C1CC1
(2) InChI: InChI=1/C3H4O/c4-3-1-2-3/h1-2H2
(3) InChIKey: VBBRYJMZLIYUJQ-UHFFFAOYAV