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| IUPAC Name: | 1,4-diisocyanatobenzene |
| Description: | 1,4-Phenylene diisocyanate (CAS# 104-49-4) is a useful research chemical compound. |
| Molecular Weight: | 160.13 |
| Molecular Formula: | C8H4N2O2 |
| Canonical SMILES: | C1=CC(=CC=C1N=C=O)N=C=O |
| InChI: | InChI=1S/C8H4N2O2/c11-5-9-7-1-2-8(4-3-7)10-6-12/h1-4H |
| InChI Key: | ALQLPWJFHRMHIU-UHFFFAOYSA-N |
| Boiling Point: | 260 °C |
| Melting Point: | 94 °C |
| Flash Point: | >230 °CF |
| Purity: | 95 % |
| Density: | 1.17 g/cm3 |
| Solubility: | less than 1 mg/mL at 68 °F |
| Appearance: | White to light yellow crystals |
| Storage: | Keep in a cool, dry, dark location in a tightly sealed container or cylinder. Keep away from incompatible materials, ignition sources and untrained individuals. Secure and label area. Protect containers/cylinders from physical damage. |
| MDL: | MFCD00002025 |
| LogP: | 1.62120 |
| Vapor Pressure: | less than 0.006 mmHg at 68 °F |
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