LABOTEST-BB LT01690259
1,3-diethylurea
CAS: 623-76-7
Molecular Formula: C5H12N2O
LABOTEST-BB LT01690259 - Names and Identifiers
| Name | 1,3-diethylurea |
| Synonyms | SYM-DIETHYLUREA 1,3-diethylurea N,N-Diethylurea 1,3-diethyl-ure N,N'-DIETHYLUREA N,N'-Diethylurea urea,n,n'-diethyl Urea, 1,3-diethyl- sym-N,N'-Diethylurea LABOTEST-BB LT01690259 DIETHYLUREA SYMMETRICAL Diethylurea symmetrical |
| CAS | 623-76-7 |
| EINECS | 210-811-3 |
| InChI | InChI=1/C5H12N2O/c1-3-6-5(8)7-4-2/h3-4H2,1-2H3,(H2,6,7,8) |
LABOTEST-BB LT01690259 - Physico-chemical Properties
| Molecular Formula | C5H12N2O |
| Molar Mass | 116.16 |
| Density | 1.0415 |
| Melting Point | 112-113 °C (lit.) |
| Boling Point | 217.23°C (rough estimate) |
| Flash Point | 121.1°C |
| Water Solubility | Soluble in water. |
| Vapor Presure | 0.0106mmHg at 25°C |
| Appearance | powder to crystaline |
| Color | White to Almost white |
| BRN | 1744741 |
| pKa | 16.53±0.46(Predicted) |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.4616 (estimate) |
| MDL | MFCD00009028 |
LABOTEST-BB LT01690259 - Risk and Safety
| Risk Codes | R11 - Highly Flammable R23/24/25 - Toxic by inhalation, in contact with skin and if swallowed. R36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S22 - Do not breathe dust. S24/25 - Avoid contact with skin and eyes. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S15 - Keep away from heat. S3/7/9 - |
| WGK Germany | 3 |
| RTECS | YS9354000 |
LABOTEST-BB LT01690259 - Reference Information
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| Use | 1, 3-diethyl urea is an important intermediate in the production of dyes, pharmaceuticals and pesticides, 1, 3-diethyl urea is also an excellent chemical fertilizer; 1, 3-diethyl urea has also been widely used in TFT liquid crystal materials. |
| synthetic method | A solution of 5G (0.02 mol)bicaret in 150 25% sulfuric acid was boiled for 40 h, it was then cooled to 20°C and neutralized with 40% sodium hydroxide solution. The resulting inorganic salt precipitate was isolated and the filtrate was evaporated to dryness. The dry residue was supplemented with 50ml of ethanol, the inorganic layer was filtered and the ethanol-water filtrate was evaporated to dryness. The residual water was removed with benzene (4 x 50ml). Residue from the distillation of a material. The residue was crystallized from a mixture of chloroform and diethyl ether (1:1) to give a substance. The hydrolysate of I was formed and its composition and structure were studied using elemental analysis and PMR spectroscopy. Yield: 2.1g (70%) and 1, 3-diethyl urea, yield: 1.2g (55%). Product Ratio: 1:1. Compound II:(boiling point 120-121°C/3mmHg). Elemental analysis: carbon content 53.5%, hydrogen content 7.6%,C7H12N2O2, calculated: carbon content 53.8%, hydrogen content 7.6%). PMR spectral parameters:-CH3(Et):1.25(t),6h,-CH2-(Et):1.1(t),6h,-CH2-(5):3.56(m),4H. Compound III: melting temperature of 109-110 °c. Elemental analysis: elemental composition: 51.6% H,10.3% H;C5H12N2O; Calculated: 51.7% C,10.3% H. PMR spectral parameters:-CH3(Et):3.13(q),4H,-CH2-(Et):4.92(s),2H. Structural formula of Fig. 1, 3-diethylurea |
Last Update：2024-04-09 20:52:54
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