ChemicalBook > CAS DataBase List > 4-Ethynylbenzonitrile

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
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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.
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Safety

Hazard Codes 
Xi,Xn
Risk Statements 
36/37/38-20/21/22
Safety Statements 
26-36
WGK Germany 
3
HS Code 
2926907090
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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.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
206539
Product name
4-Ethynylbenzonitrile
Purity
97%
Packaging
5g
Price
$256.2
Updated
2025/07/31
TCI Chemical
Product number
E0872
Product name
4-Ethynylbenzonitrile
Purity
min. 97.0 %
Packaging
1G
Price
$71
Updated
2025/07/31
TCI Chemical
Product number
E0872
Product name
4-Ethynylbenzonitrile
Purity
min. 97.0 %
Packaging
5G
Price
$213
Updated
2025/07/31
TRC
Product number
E932163
Product name
4-Ethynylbenzonitrile
Packaging
100mg
Price
$45
Updated
2021/12/16
TRC
Product number
E932163
Product name
4-Ethynylbenzonitrile
Packaging
500mg
Price
$65
Updated
2021/12/16
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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

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View Lastest Price from 4-Ethynylbenzonitrile manufacturers

Shanghai UCHEM Inc.
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
Career Henan Chemical Co
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