4-Methoxybenzyl isocyanate
- CAS NO.：56651-60-6
- Empirical Formula: C9H9NO2
- Molecular Weight: 163.17
- MDL number: MFCD00673064
- SAFETY DATA SHEET (SDS)
- Update Date: 2026-05-28 06:27:57
What is 4-Methoxybenzyl isocyanate?
Chemical properties
clear colourless to yellow liquid
The Uses of 4-Methoxybenzyl isocyanate
4-Methoxybenzyl isocyanate (p-Methoxybenzyl isocyanate) may be used in the synthesis of 1-(4-methoxybenzyl)-3-{2-[(4-nitrophenyl)amino]ethyl}urea and 1-(4-methoxybenzyl)-3-{2-[(5-nitropyridin-2-yl)amino]ethyl} urea.
It may be used in the multi-step synthesis of:
- diimidazodiazepine containing 5:7:5-fused heterocycle
- 2-deoxy-2-ureido-D-ribo-hexulofuranosonamide
- 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.
Properties of 4-Methoxybenzyl isocyanate
| Boiling point: | 60-66 °C/0.6 mmHg (lit.) |
| Density | 1.143 g/mL at 25 °C (lit.) |
| refractive index | n |
| Flash point: | >230 °F |
| storage temp. | 2-8°C |
| InChI | InChI=1S/C9H9NO2/c1-12-9-4-2-8(3-5-9)6-10-7-11/h2-5H,6H2,1H3 |
| CAS DataBase Reference | 56651-60-6(CAS DataBase Reference) |
Safety information for 4-Methoxybenzyl isocyanate
| Signal word | Danger |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Health Hazard GHS08 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H317:Sensitisation, Skin H319:Serious eye damage/eye irritation H334:Sensitisation, respiratory H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 4-Methoxybenzyl isocyanate
| InChIKey | QRBHVARIMDDOOV-UHFFFAOYSA-N |
| SMILES | C1(CN=C=O)=CC=C(OC)C=C1 |
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