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| CAS No.: | 1704-79-6 |
|---|---|
| Name: | 4-Imidazolidinone |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C3H6N2O |
| Molecular Weight: | 86.0934 |
| Synonyms: | 4-Oxoimidazolidine; |
| Density: | 1.114 g/cm3 |
| Melting Point: | 131 °C |
| Boiling Point: | 317.6 °C at 760 mmHg |
| Flash Point: | 179.9 °C |
| Hazard Symbols: | R36/37/38:; |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 41.13000 |
| LogP: | -0.67910 |
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Specification
The CAS register number of 4-Imidazolidinone is 1704-79-6. It also can be called as 4-Oxoimidazolidine and the IUPAC name about this chemical is imidazolidin-4-one. The molecular formula about this chemical is C3H6N2O and molecular weight is 86.09. It belongs to the Pharmacetical.
Physical properties about 4-Imidazolidinone are: (1)ACD/LogP: -2.55; (2)ACD/LogD (pH 5.5): -2.56; (3)ACD/LogD (pH 7.4): -2.55; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)Polar Surface Area: 23.55Å2; (11)Index of Refraction: 1.447; (12)Molar Refractivity: 20.66 cm3; (13)Molar Volume: 77.2 cm3; (14)Polarizability: 8.19x10-24cm3; (15)Surface Tension: 30.8 dyne/cm; (16)Enthalpy of Vaporization: 55.91 kJ/mol; (17)Boiling Point: 317.6 °C at 760 mmHg; (18)Vapour Pressure: 0.00038 mmHg at 25°C.
Preparation: this chemical can be prepared by 1-benzyl-4-imidazolidinone. This reaction will need reagent H2, catalyst 5percent Pd on charcoal and solvent ethanol. The reaction time is 4 hour(s) with reaction pressure of 1824. The yield is about 80%.
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When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1NCNC1
(2)InChI: InChI=1/C3H6N2O/c6-3-1-4-2-5-3/h4H,1-2H2,(H,5,6)
(3)InChIKey: GVONPBONFIJAHJ-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C3H6N2O/c6-3-1-4-2-5-3/h4H,1-2H2,(H,5,6)
(5)Std. InChIKey: GVONPBONFIJAHJ-UHFFFAOYSA-N