(4-Chlorophenyl)ethyne
1-chloro-4-ethynylbenzene
CAS: 873-73-4
Molecular Formula: C8H5Cl
(4-Chlorophenyl)ethyne - Names and Identifiers
| Name | 1-chloro-4-ethynylbenzene |
| Synonyms | (4-Chlorophenyl)ethyne p-Ethynylchlorobenzene 4-CHOROPHENYLACETYLENE 4-Chlorophenylacetylene 1-(4-Chlorophenyl)ethyne 4-Ethynyl-1-chlorobenzene 1-chloro-4-ethynylbenzene (p-Chlorophenyl)acetylene Benzene, 1-chloro-4-ethynyl- (6CI, 7CI, 8CI, 9CI) |
| CAS | 873-73-4 |
| InChI | InChI=1/C8H5Cl/c1-2-7-3-5-8(9)6-4-7/h1,3-6H |
| InChIKey | LFZJRTMTKGYJRS-UHFFFAOYSA-N |
(4-Chlorophenyl)ethyne - Physico-chemical Properties
| Molecular Formula | C8H5Cl |
| Molar Mass | 136.58 |
| Density | 1.24 g/cm3(Temp: 50 °C) |
| Melting Point | 45-47°C(lit.) |
| Boling Point | 79-82 °C (23 mmHg) |
| Flash Point | 10 °C |
| Water Solubility | Insoluble in water. Soluble in acetone, chloroform, dichloromethane, DMF, DMSO, ethanol, ethyl acetate, hexane, methanol,THF and toluene. |
| Vapor Presure | 1.33mmHg at 25°C |
| Appearance | Crystalline Mass |
| Color | Yellow to pale brown |
| Storage Condition | Sealed in dry,2-8°C |
| Stability | Light Sensitive |
| Refractive Index | 1.564 |
| Physical and Chemical Properties | Melting point 45-47°C(lit.) boiling point 79-82°C (23 mmHg) flash point 10°C storage conditions Keep Cold |
(4-Chlorophenyl)ethyne - Risk and Safety
| Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and skin. R11 - Highly Flammable |
| 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. S36 - Wear suitable protective clothing. S37/39 - Wear suitable gloves and eye/face protection |
| UN IDs | UN 1325 4.1/PG 2 |
| WGK Germany | 3 |
| HS Code | 29039990 |
| Hazard Note | Irritant/Keep Cold |
| Hazard Class | FLAMMABLE |
| Packing Group | Ⅱ |
(4-Chlorophenyl)ethyne - Reference Information
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| production method | 1. Preparation Method: In a reaction flask equipped with a stirrer, a nitrogen conduit and a reflux condenser, 14.8g(0.096mol) of p-chloroacetophenone (2) and 24g(0.114mol) of phosphorus pentachloride were added, and the mixture was heated to 70 ° C. In an oil bath. A large amount of hydrogen chloride gas was released after the compound (2) was melted, and a yellow clear liquid was formed after about 10min. The produced phosphorus oxychloride was distilled off under reduced pressure, and then the intermediates (3) and (4) were distilled off under a pressure of 14.2 to collect a fraction at 45 to 56 ° C. To obtain g. This was added to 90ml of DMSO, a solution of 12g of Methyl hydroxide dissolved in 10ml of water was added, and the mixture was heated in an oil bath at 80 ° C. For 2H. Poured into 300ml of ice water, hexane extraction 3 times. The extracts were combined, washed with water, washed with saturated brine, and dried with anhydrous potassium carbonate. After recovering the solvent, it was recrystallized from ethanol-water to obtain yellow crystal ① (1)3.4g,mp42 ℃,bp79~82 ℃/3.06kPa, and the yield was 26% (based on p-chloroacetophenone). Note: ① p-methylphenylacetylene can be synthesized by similar synthesis method, bp 75~81 ℃/2.67kPa, yield 48%. P-fluorophenylacetylene, bp28 ~ 41 ℃/1.73kPa, yield 36%. [1] |
Last Update：2024-04-09 02:00:12
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