4-Ethynyltoluene
ALDRICH/206504 - 97%
Synonym: 1-
CAS Number: 766-97-2
Empirical Formula (Hill Notation): C9H8
Molecular Weight: 116.16
MDL Number: MFCD00008571
Linear Formula: CH3C6H4C≡CH
Product Type: Chemical
ATR-IR Spectra for 1-Ethynyl-4-methylbenzene.
FT-IR Spectra for 1-Ethynyl-4-methylbenzene.
| assay | 97% |
| bp | 168-170 °C (lit.) |
| density | 0.916 g/mL at 25 °C (lit.) |
| form | liquid |
| InChI | 1S/C9H8/c1-3-9-6-4-8(2)5- |
| InChI key | KSZVOXHGCKKOLL-UHFFFAOYSA |
| Quality Level | 200  |
| refractive index | n |
| SMILES string | Cc1ccc(cc1)C#C |
| Application: | 4-Ethynyltoluene was used in the synthesis of bis(bicyclic) products by the cycloaddition of alkynes to the AlN2C2. |
| Packaging: | 5 g in ampule |
| 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 | 16-26-27-36/37/39 |
| RIDADR | UN 3295C 3 / PGIII |
| WGK Germany | WGK 3 |
| Flash Point(F) | 120.2 °F - closed cup |
| Flash Point(C) | 49 °C - closed cup |
| Purity | 97% |
| bp | 168-170 °C (lit.) |
| Density | 0.916 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12352100 |