4-METHOXYBENZYL ISOCYANATE 98% (C005B-049204)

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.

Application

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

Molecular Weight: 163.17. Empirical Formula: C₉H₉NO₂. linearFormula: CH₃OC₆H₄CH₂NCO. Quality Level: 100. Assay: 98%. refractive index: n20/D 1.433 (lit.). bp: 60-66 . °C/0.6 . mmHg (lit.). density: 1.143 . g/mL . at 25 . °C (lit.). storage temp.: 2-8°C. SMILES string: COc1ccc(CN: C: O)cc1. InChI: 1S/C9H9NO2/c1-12-9-4-2-8(3-5-9)6-10-7-11/h2-5H,6H2,1H3. InChI key: QRBHVARIMDDOOV-UHFFFAOYSA-N. Pictograms: 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 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. Target Organs: Respiratory system. Storage Class Code: 6.1C - Combustible, acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects. WGK: WGK 3. Flash Point(F): 235.4 °F - closed cup. Flash Point(C): 113 °C - closed cup. Personal Protective Equipment: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter.