5-Hexynenitrile, 98%

Description

CAS: 14918-21-9 | C6H7N | 93.129 g/mol

5-Hexynenitrile is used in the preparation of annelated symmetric and asymmetric 3,3'-disubstituted 2,2'-bipyridines by cobalt(I)-catalyzed [2+2+2] cycloadditions with 1,3-diynes. Further, it reacts with 3-bromo-pyridine to prepare 6-(3-pyridinyl)-5-hexynenitrile.

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
5-Hexynenitrile is used in the preparation of annelated symmetric and asymmetric 3,3′-disubstituted 2,2′-bipyridines by cobalt(I)-catalyzed [2+2+2] cycloadditions with 1,3-diynes. Further, it reacts with 3-bromo-pyridine to prepare 6-(3-pyridinyl)-5-hexynenitrile.

Solubility
Miscible with water.

Notes
Store in a cool place. Keep the container tightly closed in a dry and well-ventilated place. Incompatible with strong oxidizing agents and strong bases.

Specifications

Chemical Identifiers

• CAS: 14918-21-9
• Molecular Formula: C6H7N
• Molecular Weight (g/mol): 93.129
• MDL Number: MFCD00001978
• InChI Key: JZYKFLLRVPPISG-UHFFFAOYSA-N
• Synonym: 5-hexynenitrile, 5-cyano-1-pentyne, acmc-1c81n, 5-hexynenitrile 1g
• PubChem CID: 139852
• IUPAC Name: hex-5-ynenitrile
• SMILES: C#CCCCC#N

• Density: 0.889
• Boiling Point: 115°C to 117°C
• Flash Point: 42°C (107°F)
• Refractive Index: 1.441
• Quantity: 1 g
• UN Number: UN1992
• Beilstein: 1735926
• Solubility Information: Miscible with water.
• Formula Weight: 93.13
• Percent Purity: 98%
• Chemical Name or Material: 5-Hexynenitrile

Safety and Handling

Hazard Category	H226-H302+H312+H332-H315-H319-H335
Hazard Statement	GHS H Statement H226-H302-H312-H332 Flammable liquid and vapor. Harmful if swallowed. Harmful in contact with skin. Harmful if inhaled.
Precautionary Statement	P210-P233-P235-P240-P241-P242-P243-P261-P264b-P270-P271-P280-P301+P312-P303+P361+P353-P304+P340-P305+P351+P338-P312-P330-P332+P313-P363-P370+P378q-P501c
DOTInformation	Transport Hazard Class: 3; Packing Group: III; Proper Shipping Name: FLAMMABLE LIQUIDS, TOXIC, N.O.S.
TSCA	No
Recommended Storage	Keep cold

SDS

RUO – Research Use Only