1,4-Phenylene diisocyanate
ALDRICH/262242
Synonym: 1,4-
CAS Number: 104-49-4
Empirical Formula (Hill Notation): C8H4N2O2
Molecular Weight: 160.13
EC Number: 203-207-6
MDL Number: MFCD00002025
Linear Formula: C6H4(NCO)2
Product Type: Chemical
This picture is provided solely for illustration purposes. Optical properties of the actual product may deviate. Relevant product information is printed on labeled products and other accompanying or available information material. This image depicts SKU: 262242-100G
| bp | 260 °C (lit.) |
| form | solid |
| InChI | 1S/C8H4N2O2/c11-5-9-7-1-2 |
| InChI key | ALQLPWJFHRMHIU-UHFFFAOYSA |
| mp | 96-99 °C (lit.) |
| Quality Level | 100  |
| SMILES string | O=C=Nc1ccc(cc1)N=C=O |
| solubility | acetone: soluble |
| ethyl acetate: soluble | |
| THF: soluble | |
| toluene: soluble | |
| vapor pressure | <0.01 mmHg ( 20 °C) |
| Application: | 1,4-Phenylene diisocyanate (PPDI) can be used as: • A reactant to synthesize high yield polymers via criss-cross addition polymerization reaction with alkyl aldazines in pyridine. • An organic building block to prepare adamantyl-containing diurea and thiourea derivatives applicable as potent mammalian and human soluble epoxide hydrolase inhibitors. • A coupling agent to synthesize polyethylene glycol (PEG)/silica composite material using dibutyltin dilaurate (DBTDL) as a catalyst. It can also be used: • As a cross-linking reagent to investigate the mechanism of enzyme immobilization on silanized surfaces. • In the synthesis of the dipodal bis-urea receptor, a selective receptor for hydrogen sulfate. • In the deposition of polyurea resists films via molecular layer deposition. |
| Packaging: | 25, 100 g in glass bottle |
| Symbol |    GHS06,GHS08,GHS09 |
| Signal word | Danger |
| Hazard statements | H315 - H317 - H319 - H330 - H334 - H411 |
| Precautionary statements | P260 - P273 - P280 - P302 + P352 - P304 + P340 + P310 - P305 + P351 + P338 |
| Hazard Codes | Xn |
| Risk Statements | 20/21/22-38-41-42 |
| Safety Statements | 22-26-36/37-36/37/39-45 |
| RIDADR | UN 3335 |
| WGK Germany | WGK 3 |
| Flash Point(F) | 235.4 °F - closed cup |
| Flash Point(C) | > 113 °C - closed cup |
| bp | 260 °C (lit.) |
| mp | 96-99 °C (lit.) |
| UNSPSC | 12352100 |