3-Cyanophenyl isocyanate
ALDRICH/439991 - 97%
CAS Number: 16413-26-6
Empirical Formula (Hill Notation): C8H4N2O
Molecular Weight: 144.13
MDL Number: MFCD00013856
Linear Formula: NCC6H4NCO
Product Type: Chemical
| assay | 97% |
| form | solid |
| functional group | isocyanate |
| nitrile | |
| InChI | 1S/C8H4N2O/c9-5-7-2-1-3-8 |
| InChI key | NZHPVPMRNASEQK-UHFFFAOYSA |
| mp | 51-54 °C (lit.) |
| Quality Level | 100 ![]() |
| SMILES string | O=C=Nc1cccc(c1)C#N |
| Application: | 3-Cyanophenyl isocyanate may be employed as starting reagent for the following syntheses: • R/S-4-(3-chlorophenylaminoca • 1-(3-cyanophenyl)-3-(2-methoxy-6-pentadecylbenzyl)urea |
| General description: | 3-Cyanophenyl isocyanate is an aromatic isocyanate. |
| Packaging: | 5 g in glass bottle |
| Symbol | ![]() GHS07,GHS08 |
| Signal word | Danger |
| Hazard statements | H302 + H312 + H332 - H315 - H317 - H319 - H334 - H335 |
| Precautionary statements | P261 - P264 - P280 - P301 + P312 - P302 + P352 + P312 - P305 + P351 + P338 |
| Hazard Codes | Xn |
| Risk Statements | 20/21/22-36/37/38 |
| Safety Statements | 7-26-27-37/39 |
| RIDADR | UN 3335 |
| WGK Germany | WGK 3 |
| Purity | 97% |
| mp | 51-54 °C (lit.) |
| UNSPSC | 12352100 |



