3-METHYL-1,1-DIPHENYLUREA
- Product Name3-METHYL-1,1-DIPHENYLUREA
- CAS13114-72-2
- MFC14H14N2O
- MW226.27
- EINECS236-039-7
- MOL File13114-72-2.mol
Chemical Properties
| Melting point | 172-174 °C (lit.) |
| Boiling point | 367.89°C (rough estimate) |
| Density | 1.0852 (rough estimate) |
| vapor pressure | 0Pa at 20℃ |
| refractive index | 1.6419 (estimate) |
| storage temp. | 2-8°C |
| solubility | DMSO (Slightly), Methanol (Slightly) |
| pka | 14.83±0.46(Predicted) |
| form | Solid |
| color | Off-White to Light Blue |
| Water Solubility | 234.8mg/L at 20℃ |
| InChI | 1S/C14H14N2O/c1-15-14(17)16(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3,(H,15,17) |
| InChIKey | IMFYAZJNDOZIFV-UHFFFAOYSA-N |
| SMILES | CNC(=O)N(c1ccccc1)c2ccccc2 |
| LogP | 1.69 at 25℃ |
| CAS DataBase Reference | 13114-72-2(CAS DataBase Reference) |
| EPA Substance Registry System | N'-Methyl-N,N-diphenylurea (13114-72-2) |
Safety Information
| Safety Statements | 36/37 |
| WGK Germany | 3 |
| TSCA | TSCA listed |
| HS Code | 2924210000 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral Aquatic Chronic 3 STOT RE 2 Oral |
