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| | 1,4-Phenylene diisocyanate Basic information |
| | 1,4-Phenylene diisocyanate Chemical Properties |
| Melting point | 96-99 °C (lit.) | | Boiling point | 260 °C (lit.) | | density | 1.3848 (rough estimate) | | vapor pressure | <0.01 mm Hg ( 20 °C) | | refractive index | 1.4900 (estimate) | | Fp | >230 °F | | solubility | THF: soluble | | form | powder to crystal | | color | White to Light yellow | | Water Solubility | 130mg/L at 20℃ | | Stability: | Stable. Combustible. Incompatible with strong oxidising agents, strong alkalies, strong acids, alcohols, amines. Moisture sensitive. | | InChI | 1S/C8H4N2O2/c11-5-9-7-1-2-8(4-3-7)10-6-12/h1-4H | | InChIKey | ALQLPWJFHRMHIU-UHFFFAOYSA-N | | SMILES | O=C=Nc1ccc(cc1)N=C=O | | LogP | 3.19 at 20℃ | | CAS DataBase Reference | 104-49-4(CAS DataBase Reference) | | NIST Chemistry Reference | Benzene, 1,4-diisocyanato-(104-49-4) | | EPA Substance Registry System | 1,4-Phenylene diisocyanate (104-49-4) |
| Hazard Codes | Xn,C | | Risk Statements | 20/21/22-36/37/38-42-34-41-38 | | Safety Statements | 22-26-36/37-45-36/37/39 | | RIDADR | UN 2811 6.1/PG 3 | | WGK Germany | 3 | | RTECS | CZ6150000 | | TSCA | TSCA listed | | HazardClass | 6.1 | | PackingGroup | III | | HS Code | 29291010 | | Storage Class | 6.1A - Combustible acute toxic Cat. 1 and 2
very toxic hazardous materials | | Hazard Classifications | Acute Tox. 2 Inhalation
Aquatic Chronic 2
Eye Irrit. 2
Resp. Sens. 1
Skin Irrit. 2
Skin Sens. 1 |
| | 1,4-Phenylene diisocyanate Usage And Synthesis |
| Chemical Properties | white to light yellow crystals | | Uses | 1,4-Phenylene diisocyanate has been used:
- as croos-linking reagent to investigate the mechanism of enzyme immobilization on silanized surfaces
- in the synthesis of dipodal bis-urea receptor, a selective receptor for hydrogen sulfate
- in deposition of polyurea resists films via molecular layer deposition
| | Synthesis Reference(s) | Journal of Heterocyclic Chemistry, 7, p. 177, 1970 DOI: 10.1002/jhet.5570070126 | | General Description | White crystals or pale yellow chunky solid. Pungent odor. | | Air & Water Reactions | Reacts slowly with water to form CO2 | | Reactivity Profile | 1,4-Phenylene diisocyanate is sensitive to moisture. 1,4-Phenylene diisocyanate is incompatible with water, strong acids, strong alkalis, strong oxidizers, alcohol, amines and other hydrogen compounds. | | Fire Hazard | 1,4-Phenylene diisocyanate is combustible. | | Flammability and Explosibility | Not classified |
| | 1,4-Phenylene diisocyanate Preparation Products And Raw materials |
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