Phenyl isocyanate
SIAL/78750 - for HPLC derivatization, LiChropur™, ≥99.0% (GC)
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 | ≥99.0% (GC) |
| bp | 162-163 °C (lit.) |
| density | 1.096 g/mL at 25 °C (lit.) |
| form | liquid |
| grade | for HPLC derivatization |
| InChI | 1S/C7H5NO/c9-6-8-7-4-2-1- |
| InChI key | DGTNSSLYPYDJGL-UHFFFAOYSA |
| mp | −30 °C (lit.) |
| quality | LiChropur™ |
| Quality Level | 100  |
| refractive index | n |
| n |
|
| SMILES string | O=C=Nc1ccccc1 |
| technique(s) | HPLC: suitable |
| vapor pressure | 1.4 mmHg ( 20 °C) |
| Application: | Phenyl isocyanate was used in preparing grapheme-polymer nanocomposites by mixing exfoliated phenyl isocyanate-treated graphite oxide sheets with polystyrene. It was used in studying its reaction of o-hydroxybenzyl alcohol in polar solvents with in situ FT-IR which showed that phenolic hydroxyl group reacts easily than aliphatic hydroxyl group. |
| General description: | Phenyl isocyanate is an aromatic monoisocyanate which is a constituent of diphenyl methane diisocyanate. It is suitable to make aryl ureas with amine at room temperature making it unlikely to detect isocyanate formation using NMR. It reacts with amino acids in alkaline solution and with peptone. |
| Legal Information: | LiChropur is a trademark of Merck KGaA, Darmstadt, Germany |
| Other Notes: | Reagent for the determination of alcohols and amines |
| Recommended products: | Discover LiChropur reagents ideal for HPLC or LC-MS analysis |
| 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 | ≥99.0% (GC) |
| bp | 162-163 °C (lit.) |
| mp | −30 °C (lit.) |
| Density | 1.096 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12000000 |