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4-Ethynylbenzonitrile, 97%
CAS: 3032-92-6 | C9H5N | 127.146 g/mol
$168.42 - $575.49
Chemical Identifiers
| CAS | 3032-92-6 |
|---|---|
| Molecular Formula | C9H5N |
| Molecular Weight (g/mol) | 127.146 |
| MDL Number | MFCD04974058 |
| InChI Key | LAGNMUUUMQJXBF-UHFFFAOYSA-N |
| Synonym | 4-ethynyl-benzonitrile, 4-cyanophenylacetylene, benzonitrile, 4-ethynyl, p-cyanophenylacetylene, 4-ethynyl-bezonitrile, benzonitrile,4-ethynyl, 4-ethynylbenzenecarbonitrile, 4-ethynylbenzonitrile, ksc564s8b, benzonitrile, 4-ethynyl-9ci |
| PubChem CID | 4547245 |
| IUPAC Name | 4-ethynylbenzonitrile |
| SMILES | C#CC1=CC=C(C=C1)C#N |
| Catalog Number | Mfr. No. | Quantity | Price | Quantity | |||||
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| Catalog Number | Mfr. No. | Quantity | Price | Quantity | |||||
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AAH6124403
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Thermo Scientific Chemicals
H6124403 |
1 g |
Each for $168.42
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AAH6124406
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Thermo Scientific Chemicals
H6124406 |
5 g |
Each for $575.49
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Description
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.
This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.
Applications4-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.
Solubility
Slightly soluble in water.
Notes
Incompatible with strong oxidizing agents, acids and organic materials.
Chemical Identifiers
| 3032-92-6 | |
| 127.146 | |
| LAGNMUUUMQJXBF-UHFFFAOYSA-N | |
| 4547245 | |
| C#CC1=CC=C(C=C1)C#N |
| C9H5N | |
| MFCD04974058 | |
| 4-ethynyl-benzonitrile, 4-cyanophenylacetylene, benzonitrile, 4-ethynyl, p-cyanophenylacetylene, 4-ethynyl-bezonitrile, benzonitrile,4-ethynyl, 4-ethynylbenzenecarbonitrile, 4-ethynylbenzonitrile, ksc564s8b, benzonitrile, 4-ethynyl-9ci | |
| 4-ethynylbenzonitrile |
Specifications
| 3032-92-6 | |
| Yellow | |
| MFCD04974058 | |
| UN3439 | |
| Slightly soluble in water. | |
| C#CC1=CC=C(C=C1)C#N | |
| 127.146 | |
| 127.14 | |
| Solid |
| 156°C to 160°C | |
| C9H5N | |
| 1 g | |
| 4-ethynyl-benzonitrile, 4-cyanophenylacetylene, benzonitrile, 4-ethynyl, p-cyanophenylacetylene, 4-ethynyl-bezonitrile, benzonitrile,4-ethynyl, 4-ethynylbenzenecarbonitrile, 4-ethynylbenzonitrile, ksc564s8b, benzonitrile, 4-ethynyl-9ci | |
| LAGNMUUUMQJXBF-UHFFFAOYSA-N | |
| 4-ethynylbenzonitrile | |
| 4547245 | |
| 97% | |
| 4-Ethynylbenzonitrile |
Safety and Handling
GHS H Statement
H331-H302-H312-H315-H319-H335
Toxic if inhaled.
Harmful if swallowed.
Harmful in contact with skin.
Causes skin irritation.
Causes serious eye irritation.
May cause respiratory irritation.
P261-P264b-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P362-P501c
H315-H319-H335
DOTInformation : Transport Hazard Class: 6.1; Packaging Group: III; Proper Shipping Name: NITRILES, SOLID, TOXIC, N.O.S.
TSCA : No
Recommended Storage : Ambient temperatures
RUO – Research Use Only