p-Phenylene diisothiocyanate
ALDRICH/258555 - 98%
Synonym: 1,4-
CAS Number: 4044-65-9
Empirical Formula (Hill Notation): C8H4N2S2
Molecular Weight: 192.26
EC Number: 223-741-3
MDL Number: MFCD00004811
Linear Formula: C6H4(NCS)2
Product Type: Chemical
ATR-IR Spectra for 1,4-Diisothiocyanatobenzene.
| assay | 98% |
| InChI | 1S/C8H4N2S2/c11-5-9-7-1-2 |
| InChI key | OMWQUXGVXQELIX-UHFFFAOYSA |
| mp | 129-131 °C (lit.) |
| Quality Level | 200  |
| reaction suitability | reagent type: cross-linking reagent |
| SMILES string | S=C=Nc1ccc(cc1)N=C=S |
| Application: | p-Phenylene diisothiocyanate can be used in various applications including the following: • Synthesis of hydroxamate containing chelators for labeling antibodies with 89Zr and 68Ga for imaging with positron emission tomography (immunoPET). • Synthesis of fluorescent chemosensors for Hg2+ sensing in living cells. • Synthesis of polythiourea derivatives as capacitor dielectric materials. • Synthesis of 4-isothiocyanato-4′-nitro |
| Packaging: | 1, 5 g in glass bottle |
| Symbol |   GHS06,GHS08 |
| Signal word | Danger |
| Hazard statements | H301 - H315 - H319 - H334 - H335 |
| Precautionary statements | P301 + P310 + P330 - P302 + P352 - P305 + P351 + P338 |
| Hazard Codes | Xn |
| Risk Statements | 22-36/37/38-42 |
| Safety Statements | 22-26-36/37 |
| RIDADR | UN 2811 6.1 / PGIII |
| WGK Germany | WGK 3 |
| Flash Point(F) | Not applicable |
| Flash Point(C) | Not applicable |
| Purity | 98% |
| mp | 129-131 °C (lit.) |
| UNSPSC | 12352200 |