1,4-Phenylene diisocyanate
- CAS NO.：104-49-4
- Empirical Formula: C8H4N2O2
- Molecular Weight: 160.13
- MDL number: MFCD00002025
- EINECS: 203-207-6
- SAFETY DATA SHEET (SDS)
- Update Date: 2026-01-13 11:22:15
What is 1,4-Phenylene diisocyanate?
Chemical properties
white to light yellow crystals
The Uses of 1,4-Phenylene diisocyanate
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
Properties of 1,4-Phenylene diisocyanate
| 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) |
| Flash point: | >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. |
| 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) |
Safety information for 1,4-Phenylene diisocyanate
| Signal word | Danger |
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06  Health Hazard GHS08  Environment GHS09 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H317:Sensitisation, Skin H319:Serious eye damage/eye irritation H330:Acute toxicity,inhalation H334:Sensitisation, respiratory H411:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P260:Do not breathe dust/fume/gas/mist/vapours/spray. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. 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 1,4-Phenylene diisocyanate
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