4-Ethynylbenzonitrile
- Product Name
- 4-Ethynylbenzonitrile
- CAS No.
- 3032-92-6
- Chemical Name
- 4-Ethynylbenzonitrile
- Synonyms
- (4-Cyanophenyl)ethyne;4-Cyanophenylacetylene;1-Cyano-4-ethynylbenzene;Benzonitrile, 4-ethynyl-;4-ETHYNYLBENZONITRILE 97;4-Ethynylbenzonitrile 97%;Benzonitrile, 4-ethynyl- (9CI)
- CBNumber
- CB7498992
- Molecular Formula
- C9H5N
- Formula Weight
- 127.14
- MOL File
- 3032-92-6.mol
4-Ethynylbenzonitrile Property
- Melting point:
- 156-160 °C(lit.)
- Boiling point:
- 230.2±23.0 °C(Predicted)
- Density
- 1.037 g/mL at 25 °C(lit.)
- Flash point:
- >110 °C
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- form
- Solid
- color
- Pale yellow
- Water Solubility
- Slightly soluble in water.
Safety
- Hazard Codes
- Xi,Xn
- Risk Statements
- 36/37/38-20/21/22
- Safety Statements
- 26-36
- WGK Germany
- 3
- HS Code
- 2926907090
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P271Use only outdoors or in a well-ventilated area.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
N-Bromosuccinimide Price
- Product number
- 206539
- Product name
- 4-Ethynylbenzonitrile
- Purity
- 97%
- Packaging
- 5g
- Price
- $256.2
- Updated
- 2025/07/31
- Product number
- E0872
- Product name
- 4-Ethynylbenzonitrile
- Purity
- min. 97.0 %
- Packaging
- 1G
- Price
- $71
- Updated
- 2025/07/31
- Product number
- E0872
- Product name
- 4-Ethynylbenzonitrile
- Purity
- min. 97.0 %
- Packaging
- 5G
- Price
- $213
- Updated
- 2025/07/31
- Product number
- E932163
- Product name
- 4-Ethynylbenzonitrile
- Packaging
- 100mg
- Price
- $45
- Updated
- 2021/12/16
- Product number
- E932163
- Product name
- 4-Ethynylbenzonitrile
- Packaging
- 500mg
- Price
- $65
- Updated
- 2021/12/16
4-Ethynylbenzonitrile Chemical Properties,Usage,Production
Uses
4-Ethynylbenzonitrile is used as a synthetic fragment and as a test compound for cross-coupling reactions. It is used in the study of hydrogen bond formation in multifunctional molecules due to the presence of four hydrogen bonding sites. It is also involved in the preparation of 4-[(trimethylsilyl)ethynyl]benzonitrile.
General Description
The water complexes formed with 4-ethynylbenzonitrile (4EBzN) were studied using IR-UV double resonance spectroscopy.
Synthesis
75867-40-2
3032-92-6
General procedure for the synthesis of 4-ethynylbenzonitrile from 4-[(trimethylsilyl)ethynyl]benzyl cyanide: potassium carbonate (50 mg, 0.36 mmol) was added to a mixed methanol/tetrahydrofuran solution (16 mL, 1:1) of 4-[(trimethylsilyl)ethynyl]benzyl cyanide (1.1 g, 5.3 mmol). The reaction mixture was stirred at room temperature for 30 min, followed by removal of the solvent by rotary evaporator. The residue was diluted with ethyl acetate and washed sequentially with 10% aqueous hydrochloric acid and saturated saline. The organic layer was dried over anhydrous magnesium sulfate and concentrated under reduced pressure to give 4-ethynylbenzonitrile as a white solid (0.61 g, 4.80 mmol, 91% yield).
References
[1] Tetrahedron, 2003, vol. 59, # 3, p. 287 - 293
[2] Journal of Medicinal Chemistry, 1998, vol. 41, # 21, p. 4036 - 4052
[3] Journal of the American Chemical Society, 1997, vol. 119, # 43, p. 10401 - 10412
[4] Journal of Organic Chemistry, 2014, vol. 79, # 16, p. 7342 - 7357
[5] New Journal of Chemistry, 2017, vol. 41, # 6, p. 2296 - 2308
4-Ethynylbenzonitrile Preparation Products And Raw materials
Raw materials
Preparation Products
4-Ethynylbenzonitrile Suppliers
- Tel
- --
- Fax
- --
- info@chemstep.com
- Country
- Europe
- ProdList
- 6143
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View Lastest Price from 4-Ethynylbenzonitrile manufacturers
- Product
- 4-Ethynylbenzonitrile 3032-92-6
- Price
- US $25.00-407.00/g
- Min. Order
- 5g
- Purity
- 0.97
- Supply Ability
- 10kg
- Release date
- 2023-12-04
- Product
- 4-ETHYNYLBENZONITRILE 97 3032-92-6
- Price
- US $9.80/KG
- Min. Order
- 1g
- Purity
- ≥99%
- Supply Ability
- 100kg
- Release date
- 2020-01-08