4-Hydroxymethyl-5-methylimidazole
- Product Name4-Hydroxymethyl-5-methylimidazole
- CAS29636-87-1
- MFC5H8N2O
- MW112.13
- EINECS249-740-8
- MOL File29636-87-1.mol
Chemical Properties
| Melting point | 136°C |
| Boiling point | 389.1±27.0 °C(Predicted) |
| Density | 1.231 |
| storage temp. | 2-8°C |
| solubility | DMSO (Heated), Methanol (Slightly) |
| form | Solid |
| pka | 13.62±0.10(Predicted) |
| color | White to Off-White |
| Water Solubility | almost transparency |
| Major Application | pharmaceutical small molecule |
| InChI | InChI=1S/C5H8N2O/c1-4-5(2-8)7-3-6-4/h3,8H,2H2,1H3,(H,6,7) |
| InChIKey | AXJZCJSXNZZMDU-UHFFFAOYSA-N |
| SMILES | C1NC(CO)=C(C)N=1 |
| LogP | -0.62 at 23℃ and pH8.4 |
| CAS DataBase Reference | 29636-87-1(CAS DataBase Reference) |
| EPA Substance Registry System | 1H-Imidazole-4-methanol, 5-methyl- (29636-87-1) |
Safety Information
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36/37/39 |
| WGK Germany | WGK 3 |
| TSCA | TSCA listed |
| HS Code | 2933299090 |
| Storage Class | 8A - Combustible corrosive hazardous materials |
| Hazard Classifications | Acute Tox. 4 Oral Skin Corr. 1B |
