4-Methoxybenzyl isocyanate
ALDRICH/487406 - 98%
CAS Number: 56651-60-6
Empirical Formula (Hill Notation): C9H9NO2
Molecular Weight: 163.17
MDL Number: MFCD00673064
Linear Formula: CH3OC6H4CH2NCO
Product Type: Chemical
| assay | 98% |
| bp | 60-66 °C/0.6 mmHg (lit.) |
| density | 1.143 g/mL at 25 °C (lit.) |
| functional group | amine |
| isocyanate | |
| InChI | 1S/C9H9NO2/c1-12-9-4-2-8( |
| InChI key | QRBHVARIMDDOOV-UHFFFAOYSA |
| Quality Level | 100  |
| refractive index | n |
| SMILES string | COc1ccc(CN=C=O)cc1 |
| storage temp. | 2-8°C |
| Application: | 4-Methoxybenzyl isocyanate (p-Methoxybenzyl isocyanate) may be used in the synthesis of 1-(4-methoxybenzyl)-3-{2- It may be used in the multi-step synthesis of: • diimidazodiazepine containing 5:7:5-fused heterocycle • 2-deoxy-2-ureido- • bicyclic guanidine core of batzelladine A |
| General description: | 4-Methoxybenzyl isocyanate (PMBNCO), also known as p-methoxybenzyl isocyanate, is an organic building block containing an isocyanate group. Its enthalpy of vaporization at boiling point has been reported. |
| Packaging: | 1, 5 g in glass bottle |
| Symbol |   GHS07,GHS08 |
| Signal word | Danger |
| Hazard statements | H302 + H312 + H332 - H315 - H317 - H319 - H334 - H335 |
| Precautionary statements | P261 - P264 - P280 - P301 + P312 - P302 + P352 + P312 - P305 + P351 + P338 |
| Hazard Codes | Xn |
| Risk Statements | 20/21/22-36/37/38-42 |
| Safety Statements | 26-36/37/39 |
| RIDADR | UN 2206PSN1B 6.1 / PGIII |
| WGK Germany | WGK 3 |
| Flash Point(F) | 235.4 °F - closed cup |
| Flash Point(C) | 113 °C - closed cup |
| Purity | 98% |
| bp | 60-66 °C/0.6 mmHg (lit.) |
| Density | 1.143 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| Storage Temp. | 2-8°C |
| UNSPSC | 12352100 |