Benzyl isocyanate
ALDRICH/227269 - 99%
Synonym: α-Isocyanatotoluene; (Isocyanatomethyl)
CAS Number: 3173-56-6
Empirical Formula (Hill Notation): C8H7NO
Molecular Weight: 133.15
EC Number: 221-640-9
MDL Number: MFCD00009701
Linear Formula: C6H5CH2NCO
Product Type: Chemical
| assay | 99% |
| bp | 101-104 °C/33 mmHg (lit.) |
| density | 1.078 g/mL at 25 °C (lit.) |
| form | liquid |
| functional group | amine |
| isocyanate | |
| phenyl | |
| InChI | 1S/C8H7NO/c10-7-9-6-8-4-2 |
| InChI key | YDNLNVZZTACNJX-UHFFFAOYSA |
| Quality Level | 100  |
| refractive index | n |
| SMILES string | O=C=NCc1ccccc1 |
| Application: | Benzyl isocyanate was used to investigate the kinetics of isocyanate derivatization reaction in a continuous flow glass microfluidics chip. It was also used in a multicomponent, stereospecific synthesis of 1,3-oxazinane-2,4-diones employing an Al-salph complex (674699). |
| General description: | Benzyl isocyanate inhibits the formation of benzo[a]pyrene (BP)-DNA adduct and posses chemopreventive properties. |
| Packaging: | 5, 25 g in glass bottle |
| Symbol |    GHS02,GHS07,GHS08 |
| Signal word | Danger |
| Hazard statements | H226 - H315 - H317 - H319 - H334 - H335 |
| Precautionary statements | P210 - P233 - P240 - P280 - P303 + P361 + P353 - P305 + P351 + P338 |
| Hazard Codes | Xn |
| Risk Statements | 10-36/37/38-42/43 |
| Safety Statements | 23-26-36/37 |
| RIDADR | UN 3080PSN1 3(6.1) / PGII |
| WGK Germany | WGK 3 |
| Flash Point(F) | 113.0 °F - closed cup |
| Flash Point(C) | 45 °C - closed cup |
| Purity | 99% |
| bp | 101-104 °C/33 mmHg (lit.) |
| Density | 1.078 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12352100 |