ALLYLUREA
Allylurea
CAS: 557-11-9
Molecular Formula: C4H8N2O
ALLYLUREA - Names and Identifiers
| Name | Allylurea |
| Synonyms | NSC 7607 Allylurea AI3-23204 ALLYLUREA allyl-ure Allyl urea CCRIS 5958 BRN 1745068 N-Allylurea 1-Allylurea Urea, allyl- Monoallylurea ALLYLCARBAMIDE 2-propenyl-ure Allylcarbamide 2-Propenylurea N-2-PROPENYLUREA N-2-Propenylurea Urea, 2-propenyl- 1-prop-2-en-1-ylurea Urea, N-2-propen-1-yl- 4-04-00-01070 (Beilstein Handbook Reference) |
| CAS | 557-11-9 |
| EINECS | 209-157-1 |
| InChI | InChI=1/C4H8N2O/c1-2-3-6-4(5)7/h2H,1,3H2,(H3,5,6,7) |
ALLYLUREA - Physico-chemical Properties
| Molecular Formula | C4H8N2O |
| Molar Mass | 100.12 |
| Density | 1.008 |
| Melting Point | 84-86°C(lit.) |
| Boling Point | 168℃ |
| Flash Point | 55℃ |
| Vapor Presure | 1.66mmHg at 25°C |
| Appearance | powder to crystal |
| Color | White to Almost white |
| Merck | 14,298 |
| BRN | 1745068 |
| pKa | 13.94±0.46(Predicted) |
| Storage Condition | 2-8°C |
| Refractive Index | 1.4487 (estimate) |
| MDL | MFCD00007954 |
| Physical and Chemical Properties | White needle-like crystals. Melting point 85. Soluble in water and ethanol, slightly soluble in ether and chloroform, almost insoluble in petroleum ether, benzene and carbon disulfide. Deliquescence. |
ALLYLUREA - Risk and Safety
| Hazard Symbols | Xn - Harmful |
| Risk Codes | R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R37 - Irritating to the respiratory system |
| Safety Description | 36/37 - Wear suitable protective clothing and gloves. |
| WGK Germany | 3 |
| RTECS | YR7875000 |
| HS Code | 29241900 |
ALLYLUREA - Reference Information
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Use | for the synthesis of allyl thiourea, as a preservative. |
| production method | It is obtained from the condensation of allylamine, urea and hydrochloric acid, after mixing with concentrated hydrochloric acid and water, the mixture was heated under reflux for 3H. It was concentrated under reduced pressure, cooled, and crystals were precipitated. The crude product is obtained by filtration, washing with ethanol, and recrystallization with water to obtain a finished product. Another method of preparation is the reaction of allylamine and silicon tetraisocyanate. The Lab operates as follows: In a 250ml three-necked flask, place 3.92g(0.02mol) of silicon tetraisocyanate and 120ml of dry benzene, A reflux condenser, a stirrer and a dropping funnel were installed. Stirring was initiated and 4.6g(0.08mol) of allylamine and 20ml of a solution of dry benzene was added from a dropping funnel (if the reaction was too intense, it could be cooled in an ice bath). After feeding, reflux heating 30-45min. After benzene was distilled off, 90ml of isopropanol and 100ml of water were added and refluxed for 30-45min. Filter while hot with a coarse-pore sintered glass funnel. The filter cake (gelled silica) was washed with 300ml of acetone, the washings were combined with the filtrate and the solvent was evaporated off. The crude product was purified with twice Isopropanol (activated carbon may be added if necessary). Allyl urea 7.8-8g, yield 97%-100%. |
| category | pesticide |
| toxicity grade | high toxicity |
| Acute toxicity | oral-rat LD50: 250 mg/kg; Oral-mouse LDL0: 1070 mg/kg |
| flammability hazard characteristics | flammability; Toxic NOx smoke from combustion |
| storage and transportation characteristics | The warehouse is ventilated and dried at low temperature; Stored separately from food raw materials |
| extinguishing agent | dry powder, foam, sand, carbon dioxide, water mist |
Last Update：2024-04-10 22:29:15
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