3-Phenyl-1-propyne
ALDRICH/376841 - contains ca.250 ppm BHT as inhibitor, 97%
Synonym: 1-Phenyl-2-propyne; 2-Propyn-1-ylbenzene; 2-Propynylbenzene; 3-Phenylpropyne; Benzylacetylene; Propargylbenzene
CAS Number: 10147-11-2
Empirical Formula (Hill Notation): C9H8
Molecular Weight: 116.16
MDL Number: MFCD00134431
Linear Formula: C6H5CH2C≡CH
Product Type: Chemical
| assay | 97% |
| bp | 75 °C/20 mmHg (lit.) |
| contains | ca.250 ppm BHT as inhibitor |
| density | 0.934 g/mL at 25 °C (lit.) |
| form | liquid |
| InChI | 1S/C9H8/c1-2-6-9-7-4-3-5- |
| InChI key | NGKSKVYWPINGLI-UHFFFAOYSA |
| refractive index | n |
| SMILES string | C#CCc1ccccc1 |
| Application: | 3-Phenyl-1-propyne may be used as starting reagent in the synthesis of 4-phenyl-2-butyn-1-ol. |
| General description: | 3-Phenyl-1-propyne is a 3-aryl-1-propyne. The electronic transition of the resonance-stabilized 1-phenylpropargyl radical, produced in a jet-cooled discharge of 3-phenyl-1-propyne, has been studied by laser-induced fluorescence excitation and dispersed single vibronic level fluorescence (SVLF) spectroscopy. The microwave rotational spectrum of 3-phenyl-1-propyne (propargyl benzene) has been studied and its stable conformation is reported to have coplanar carbon atoms. Reaction of N-methyl-N-phenylhydrazine or N-phenylhydrazine with 3-phenyl-1-propyne is reported to yield indoles. 3-Phenyl-1-propyne is reported to react with styrene oxide and sodium azide, to afford β-hydroxytriazoles. |
| Packaging: | 1, 5 g in glass bottle |
| Symbol |   GHS02,GHS07 |
| Signal word | Warning |
| Hazard statements | H226 - H315 - H319 - H335 |
| Precautionary statements | P210 - P302 + P352 - P305 + P351 + P338 |
| Hazard Codes | Xi |
| Risk Statements | 10-36/37/38 |
| Safety Statements | 16-26-36/37/39 |
| RIDADR | UN 3295C 3 / PGIII |
| WGK Germany | WGK 3 |
| Flash Point(F) | 125.6 °F - closed cup |
| Flash Point(C) | 52 °C - closed cup |
| Purity | 97% |
| bp | 75 °C/20 mmHg (lit.) |
| Density | 0.934 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12352100 |