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| CAS No.: | 120-93-4 |
|---|---|
| Name: | 2-Imidazolidone |
| Molecular Structure: | |
|
|
|
| Formula: | C3H6N2O |
| Molecular Weight: | 86.0934 |
| Synonyms: | Urea,ethylene- (7CI);1,3-Ethyleneurea;2-Imidazolidone;2-Oxoimidazolidine;Imidazolidinone;N,N'-Ethyleneurea;NSC 21314;NSC 3338;SD 6073;Urea, N,N'-(1,2-ethanediyl)-; |
| EINECS: | 204-436-4 |
| Density: | 1.114 g/cm3 |
| Melting Point: | 129-132 °C(lit.) |
| Boiling Point: | 358.711 °C at 760 mmHg |
| Flash Point: | 202.519 °C |
| Solubility: | soluble in water |
| Appearance: | White crystalline powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26 |
| PSA: | 41.13000 |
| LogP: | -0.04320 |
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- 32682-96-5
1-carboxy-2-imidazolidinone
- 120-93-4
imidazolidone
| Conditions | Yield |
|---|---|
| In water-d2 at 25℃; Rate constant; Mechanism; | 100% |
| Conditions | Yield |
|---|---|
| With 2-pyrrolidinon; caesium carbonate at 200℃; under 37503.8 Torr; for 2h; Temperature; Pressure; Reagent/catalyst; Solvent; Autoclave; | 99% |
| With caesium carbonate at 200℃; under 37503.8 Torr; for 2h; Reagent/catalyst; Temperature; Pressure; Autoclave; | 99% |
| at 180℃; under 75007.5 Torr; for 24h; Autoclave; | 96.9% |
- 67-56-1
methanol
- 40424-08-6
1,1'-(2-oxoimidazolidine-1,3-diyl)bis(propan-1-one)
A
- 120-93-4
imidazolidone
B
- 554-12-1
propanoic acid methyl ester
| Conditions | Yield |
|---|---|
| With C17H23BN2O at 50℃; under 760.051 Torr; for 15h; Inert atmosphere; chemoselective reaction; | A 97% B n/a |
| Conditions | Yield |
|---|---|
| In acetonitrile for 8h; Ambient temperature; | 90% |
| Conditions | Yield |
|---|---|
| With sodium methylate In methanol; toluene at 55 - 90℃; for 3h; Temperature; Concentration; Solvent; Time; Inert atmosphere; | 90% |
| With sodium methylate In methanol; toluene at 23 - 90℃; for 3h; Inert atmosphere; | 90% |
- 67-56-1
methanol
- 124-38-9
carbon dioxide
- 107-15-3
ethylenediamine
A
- 120-93-4
imidazolidone
B
- 694-32-6
1-methyl-2-imidazolidone
| Conditions | Yield |
|---|---|
| With ZnO-KF loaded on γ-Al2O3 at 180℃; under 7500.75 Torr; for 4h; Reagent/catalyst; Temperature; | A 86.3% B n/a |
- 64-17-5
ethanol
- 124-38-9
carbon dioxide
- 107-15-3
ethylenediamine
A
- 120-93-4
imidazolidone
B
- 872-69-5
1-ethylimidazolidine-2-one
| Conditions | Yield |
|---|---|
| With ZnO-KF loaded on γ-Al2O3 at 180℃; under 7500.75 Torr; for 4h; | A 82.5% B n/a |
- 71-23-8
propan-1-ol
- 124-38-9
carbon dioxide
- 107-15-3
ethylenediamine
A
- 120-93-4
imidazolidone
B
- 40424-27-9
1-propyl-2-imidazolidone
| Conditions | Yield |
|---|---|
| With ZnO-KF loaded on γ-Al2O3 at 180℃; under 7500.75 Torr; for 4h; | A 80.5% B n/a |
| Conditions | Yield |
|---|---|
| In methanol at 60℃; for 24h; | 80% |
- 120-93-4
imidazolidone
| Conditions | Yield |
|---|---|
| With trans-3,5-dihydroperoxy-3,5-dimethyl-1,2-dioxolane In acetonitrile at 20℃; for 0.583333h; chemoselective reaction; | 80% |
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Consensus Reports
Specification
The 2-Imidazolidinone, with the cas register number 120-93-4, has the IUPAC name of imidazolidin-2-one. This is a kind of colorless acicular crystalline, and is soluble in water and hot ethanol while insoluble in ethyl ether. When store, it should be kept at room temperature.
The characteristics of this chemical are as followings: (1)ACD/LogP: -1.23; (2)ACD/LogD (pH 5.5): -1.23; (3)ACD/LogD (pH 7.4): -1.23; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 5.1; (7)ACD/KOC (pH 7.4): 5.1; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)Polar Surface Area: 23.55; (11)Index of Refraction: 1.447; (12)Molar Refractivity: 20.66 cm3; (13)Molar Volume: 77.2 cm3; (14)Polarizability: 8.19× 10-24 cm3; (15)Surface Tension: 30.8 dyne/cm; (16)Density: 1.114 g/cm3; (17)Flash Point: 202.5 °C; (18)Enthalpy of Vaporization: 60.42 kJ/mol; (19)Boiling Point: 358.7 °C at 760 mmHg; (20)Vapour Pressure: 2.5E-05 mmHg at 25°C; (21)Exact Mass 86.048013; (22)MonoIsotopic Mass 86.048013; (23)Topological Polar Surface Area 41.1; (24)Heavy Atom Count 6; (25)Complexity 63.2.
The production method of this chemical is below: It could be produce from the thermocompression of quadrol and carbon dioxide, and it could also be made from the condensation and closed loop of quadrol, urea and water.
As to its usage, it is widely applied in many way. It could be used as the formaldehyde scavenger to remove the formaldehyde in the clear-up fabric, such as 2D-resin, KB resin, UF, melamino-formaldehyde resin, and so on; It could also be used in the fined chemical intermediate and in making resin, plasticizer, spray paint, adhesives, and so on.
You should be cautious while dealing with this chemical. It is irritating to eyes, respiratory system and skin, and may cause inflammation to the skin or other mucous. So you had better take the following instructions. Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted inte the molecular structure:
(1)SMILES:O=C1NCCN1
(2)InChI:InChI=1/C3H6N2O/c6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6)
(3)InChIKey:YAMHXTCMCPHKLN-UHFFFAOYAA
Below are the toxicity information of this chemical:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 500mg/kg (500mg/kg) | European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 17, Pg. 235, 1982. |
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