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  6. 4-Ethynylbenzonitrile, 97%

4-Ethynylbenzonitrile, 97%

Catalog No. AAH6124406
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Description

CAS: 3032-92-6 | C9H5N | 127.146 g/mol

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.

Applications
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.

Solubility
Slightly soluble in water.

Notes
Incompatible with strong oxidizing agents, acids and organic materials.
TRUSTED_SUSTAINABILITY

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

Specifications

Melting Point 156°C to 160°C
Color Yellow
Quantity 5 g
UN Number UN3439
Solubility Information Slightly soluble in water.
Formula Weight 127.14
Percent Purity 97%
Physical Form Solid
Chemical Name or Material 4-Ethynylbenzonitrile

Safety and Handling

Hazard Category H315-H319-H335
Hazard Statement 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.
Precautionary Statement P261-P264b-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P362-P501c
DOTInformation Transport Hazard Class: 6.1; Packaging Group: III; Proper Shipping Name: NITRILES, SOLID, TOXIC, N.O.S.
TSCA No
Recommended Storage Ambient temperatures
SDS

RUO – Research Use Only

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