Phenylacetylene
ALDRICH/117706 - 98%
Synonym: Ethynylbenzene
CAS Number: 536-74-3
Empirical Formula (Hill Notation): C8H6
Molecular Weight: 102.13
MDL Number: MFCD00008570
Linear Formula: C6H5CCH
Product Type: Chemical
| assay | 98% |
| bp | 142-144 °C (lit.) |
| density | 0.93 g/mL at 25 °C (lit.) |
| functional group | phenyl |
| impurities | <1% 1,4-dioxane |
| InChI | 1S/C8H6/c1-2-8-6-4-3-5-7- |
| InChI key | UEXCJVNBTNXOEH-UHFFFAOYSA |
| Quality Level | 200  |
| refractive index | n |
| SMILES string | C#Cc1ccccc1 |
| solubility | alcohol: miscible |
| diethyl ether: miscible | |
| H2O: insoluble | |
| storage temp. | 2-8°C |
| vapor pressure | 17.6 mmHg ( 37.7 °C) |
| Application: | Phenylacetylene was used in a study to investigate the mechanism of product formation during the palladium-catalysed phenylacetylene oxidative carbonylation reaction. |
| Application: | Terminal acetylene used in the conversion of nitrones to alkynyl hydroxyl amines in the presence of trimethylaluminum.. |
| General description: | Phenylacetylene is an aromatic organic compound frequently employed in Sonogashira coupling reactions. Phenylacetylene undergoes polymerization catalyzed by Rh and Pt complexes to form polyphenylacetylene. |
| Packaging: | 25, 100 mL in glass bottle |
| Symbol |   GHS02,GHS07 |
| Signal word | Warning |
| Hazard statements | H226 - H315 - H319 - H335 |
| Precautionary statements | P210 - P233 - P240 - P241 - P303 + P361 + P353 - P305 + P351 + P338 |
| Hazard Codes | Xn |
| Risk Statements | 10-36/37-65 |
| Safety Statements | 26-36/37-62 |
| RIDADR | UN 3295C 3 / PGIII |
| WGK Germany | WGK 3 |
| Flash Point(F) | 80.6 °F - closed cup |
| Flash Point(C) | 27 °C - closed cup |
| Purity | 98% |
| bp | 142-144 °C (lit.) |
| Density | 0.93 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| Storage Temp. | 2-8°C |
| UNSPSC | 12352100 |