CAS 3032-92-6

4-Ethynylbenzonitrile

Description:

4-Ethynylbenzonitrile, with the CAS number 3032-92-6, is an organic compound characterized by its aromatic structure featuring a cyano group (-C≡N) and an ethynyl group (-C≡C-) attached to a benzene ring. This compound typically appears as a colorless to pale yellow liquid or solid, depending on its physical state at room temperature. It is known for its utility in organic synthesis, particularly in the preparation of various pharmaceuticals and agrochemicals. The presence of the ethynyl group imparts unique reactivity, making it a valuable intermediate in coupling reactions, such as Sonogashira coupling, which is widely used in the formation of carbon-carbon bonds. Additionally, 4-Ethynylbenzonitrile exhibits moderate solubility in organic solvents, while its cyano group contributes to its polar characteristics. Safety data indicates that it should be handled with care, as it may pose health risks upon exposure. Overall, 4-Ethynylbenzonitrile is a significant compound in synthetic organic chemistry with diverse applications.

Formula: C₉H₅N

InChI: InChI=1/C9H5N/c1-2-8-3-5-9(7-10)6-4-8/h1,3-6H

SMILES: C#Cc1ccc(cc1)C#N

Synonyms:

• Benzonitrile, 4-ethynyl-

4-Ethynylbenzonitrile

CAS: 3032-92-6

Formula: C₉H₅N

Purity: >97.0%(GC)

Color and Shape: White to Light yellow powder to crystal

Molecular weight: 127.15

Ref: 3B-E0872

4-Ethynylbenzonitrile, 97%

CAS: 3032-92-6

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)

Formula: C₉H₅N

Purity: 97%

Color and Shape: White to dark brown, Powder or crystals

Molecular weight: 127.15

Ref: 02-H61244

4-Ethynylbenzonitrile

CAS: 3032-92-6

4-Ethynylbenzonitrile

Formula: C₉H₅N

Purity: ≥95%

Color and Shape: Pale yellow Solid

Molecular weight: 127.1427

Ref: 54-OR400253

Benzonitrile, 4-ethynyl-

CAS: 3032-92-6

Formula: C₉H₅N

Purity: 98%

Color and Shape: Solid

Molecular weight: 127.1427

Ref: IN-DA002ZS2

4-Ethynylbenzonitrile

CAS: 3032-92-6

4-Ethynylbenzonitrile

Formula: C₉H₅N

Purity: 98%

Molecular weight: 127.14

Ref: IN-DG97051

4-Cyanophenylacetylene

CAS: 3032-92-6

Formula: C₉H₅N

Purity: 96%

Color and Shape: Solid

Molecular weight: 127.146

Ref: 10-F046026