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| | 4-Methoxybenzyl isocyanate Basic information |
| | 4-Methoxybenzyl isocyanate Chemical Properties |
| Boiling point | 60-66 °C/0.6 mmHg (lit.) | | density | 1.143 g/mL at 25 °C (lit.) | | refractive index | n20/D 1.433(lit.) | | Fp | >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 | | InChIKey | QRBHVARIMDDOOV-UHFFFAOYSA-N | | SMILES | C1(CN=C=O)=CC=C(OC)C=C1 | | CAS DataBase Reference | 56651-60-6(CAS DataBase Reference) |
| Hazard Codes | Xn,Xi | | Risk Statements | 20/21/22-36/37/38-42 | | Safety Statements | 26-36/37/39-37/39 | | RIDADR | UN 2206PSN1B 6.1 / PGIII | | WGK Germany | 3 | | HazardClass | IRRITANT | | HS Code | 29291090 | | Storage Class | 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects | | Hazard Classifications | Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Resp. Sens. 1
Skin Irrit. 2
Skin Sens. 1
STOT SE 3 |
| | 4-Methoxybenzyl isocyanate Usage And Synthesis |
| Chemical Properties | clear colourless to yellow liquid | | Uses | 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. |
| | 4-Methoxybenzyl isocyanate Preparation Products And Raw materials |
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