4-Ethynyltoluene
4-ethynyltoluene
CAS: 766-97-2
Molecular Formula: C9H8
4-Ethynyltoluene - Names and Identifiers
| Name | 4-ethynyltoluene |
| Synonyms | ethynyltoluene 5-ETHYNYLTOLUENE 4-ethynyltoluene 4-ETHYNYLTOLUENE 4-METHYLPHENYLACETYLENE 1-ETHYNYL-4-METHYLBENZENE 4'-METHYLPHENYL ACETYLENE BENZENE, 1-ETHYNYL-4-METHYL- 4-Ethynyltoluene, 1-Ethynyl-4-methylbenzene, p-Tolylacetylene |
| CAS | 766-97-2 |
| EINECS | 616-371-2 |
| InChI | InChI=1/C9H8/c1-3-9-6-4-8(2)5-7-9/h1,4-7H,2H3 |
4-Ethynyltoluene - Physico-chemical Properties
| Molecular Formula | C9H8 |
| Molar Mass | 116.16 |
| Density | 0.93g/cm3 |
| Melting Point | 168-170 |
| Boling Point | 164.1°C at 760 mmHg |
| Flash Point | 48.9°C |
| Water Solubility | Insoluble in water. |
| Vapor Presure | 2.62mmHg at 25°C |
| Appearance | White crystal |
| Storage Condition | Room Temprature |
| Refractive Index | 1.534 |
| MDL | MFCD00008571 |
4-Ethynyltoluene - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | R10 - Flammable R36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S16 - Keep away from sources of ignition. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S27 - Take off immediately all contaminated clothing. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. |
| UN IDs | UN 3295 |
4-Ethynyltoluene - Upstream Downstream Industry
4-Ethynyltoluene - Introduction
Insoluble in water.
Last Update：2022-10-16 17:28:31
4-Ethynyltoluene - Uses and synthesis methods
introduction
4-methylphenylacetylene is an aryl terminal alkyne compound. Aryl-terminal alkynes are important organic synthesis intermediates. Polyaryl alkynes, polyaryl diynes and aryl-alkynes conjugated macromolecules obtained through aryl-terminal alkynes not only have important applications in drugs, pesticides, etc., but also In new organic functional materials and molecular electronic devices, such as organic light-emitting diodes, liquid crystal materials, nonlinear optical materials, gas separation membranes, molecular wires, molecular switches, molecular computers and other fields have broad application prospects.
Preparation
98mg(0.5mmol) of p-toluene ethynyl bromide, 163mg(0.5mmol) of cesium carbonate and 5mL of dimethyl sulfoxide were added to a 60mL sealed tube reactor. after stirring at 95 ℃ for 15 hours, the reaction was completed. deionized water was added to the system and extracted with ether. After the organic layer is washed with saturated salt water and dried with anhydrous sodium sulfate, the crude product is obtained by evaporating the solvent under reduced pressure, and the crude product is purified by column chromatography with petroleum ether as eluent to obtain 4-methylphenylacetylene, which is a colorless liquid, 54mg, and the yield is 93%.
Last Update：2024-04-10 22:29:15
4-Ethynyltoluene - Security information
| WGK Germany | 3 |
| RTECS number | XT2570000 |
| Hazard Note | Irritant/Keep Cold |
| HazardClass | 3 |
| PackingGroup | III |
| customs code | 29029090 |
Last Update：2024-04-10 22:29:15
4-Ethynyltoluene - Nature
| storage conditions | Sealed in dry,2-8°C |
| morphology | Liquid |
| Specific gravity | 0.916 |
| color | Clear pale yellow |
| water solubility | Insoluble in water. |
| BRN | 969653 |
| InChIKey | KSZVOXHGCKKOLL-UHFFFAOYSA-N |
| NIST chemical information | Benzene, 1-ethynyl-4-methyl-(766-97-2) |
Last Update：2024-04-10 22:29:15
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CAS: 766-97-2
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View History
Raw Materials for 4-Ethynyltoluene
3-Butyn-2-ol, 2-methyl-4-(4-methylphenyl)-
Benzene, 1-(1,2-dibromoethyl)-4-methyl-
(4-Methylphenylethynyl)triMethylsilane
(1-DIAZO-2-OXO-PROPYL)-PHOSPHONIC ACID DIMETHYL ESTER
Benzene, 1-(1,2-dibromoethyl)-4-methyl-
(4-Methylphenylethynyl)triMethylsilane
(1-DIAZO-2-OXO-PROPYL)-PHOSPHONIC ACID DIMETHYL ESTER
Downstream Products for 4-Ethynyltoluene
2-Bromo-4'-methylacetophenone
DI-P-TOLYLACETYLENE
4,6-dimethoxy-1H-1,3,5-triazin-2-one
METHYL 4-METHYLCINNAMATE
10-METHYLPHENOTHIAZINE
DI-P-TOLYLACETYLENE
4,6-dimethoxy-1H-1,3,5-triazin-2-one
METHYL 4-METHYLCINNAMATE
10-METHYLPHENOTHIAZINE