Phenyl isocyanate
ALDRICH/185353 - ≥98%
Synonym: Isocyanatobenzene; PhNCO
CAS Number: 103-71-9
Empirical Formula (Hill Notation): C7H5NO
Molecular Weight: 119.12
EC Number: 203-137-6
MDL Number: MFCD00001994
Linear Formula: C6H5NCO
Product Type: Chemical
| assay | ≥98% |
| bp | 162-163 °C (lit.) |
| density | 1.096 g/mL at 25 °C (lit.) |
| form | liquid |
| InChI | 1S/C7H5NO/c9-6-8-7-4-2-1- |
| InChI key | DGTNSSLYPYDJGL-UHFFFAOYSA |
| mp | −30 °C (lit.) |
| Quality Level | 100  |
| refractive index | n |
| SMILES string | O=C=Nc1ccccc1 |
| storage temp. | 2-8°C |
| vapor pressure | 1.4 mmHg ( 20 °C) |
| Application: | Phenyl isocyanate (PhNCO) can undergo addition reaction with primary nitroparaffins in the presence of a tertiary alkyl amine catalyst to form sym-disubstituted urea and furoxane. It can also react with cyclohexadienones to form vicinal diamine-containing heterocycle derivatives. |
| Application: | Phenyl isocyanate was used to prepare chemically modified cellulose paper. It was used in the synthesis of functionalized graphene oxide nanoplatelets. |
| General description: | Phenyl isocyanate reacts with ethyl alcohol to yield ethyl α,γ-diphenylallophanate and trace of phenyl isocyanate dimer. |
| Packaging: | 100, 500 g in Sure/Seal™ |
| Packaging: | 5 g in glass bottle |
| Symbol |     GHS02,GHS05,GHS06,GHS08 |
| Signal word | Danger |
| Hazard statements | H226 - H302 - H314 - H317 - H330 - H334 - H335 |
| Precautionary statements | P210 - P280 - P301 + P312 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338 |
| Hazard Codes | T+ |
| Risk Statements | 10-22-26-34-42-52 |
| Safety Statements | 16-26-28-36/37/39-45 |
| RIDADR | UN 2487 3(6.1) / PGI |
| WGK Germany | WGK 2 |
| Flash Point(F) | 123.8 °F - closed cup |
| Flash Point(C) | 51 °C - closed cup |
| Purity | ≥98% |
| bp | 162-163 °C (lit.) |
| mp | −30 °C (lit.) |
| Density | 1.096 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| Storage Temp. | 2-8°C |
| UNSPSC | 12352100 |