5-Hexynenitrile

Base Information

• Chemical Name: 5-Hexynenitrile
• CAS No.: 14918-21-9
• Molecular Formula: C6H7N
• Molecular Weight: 93.1283
• Hs Code.: 29269095
• European Community (EC) Number: 604-677-9
• DSSTox Substance ID: DTXSID10164187
• Nikkaji Number: J377.081H
• Wikidata: Q29000854
• Mol file: 14918-21-9.mol

Synonyms:5-Cyano-1-pentyne;5-Hexynenitrile;14918-21-9;hex-5-ynenitrile;MFCD00001978;5-Hexynenitrile, 97%;DTXSID10164187;AKOS006221184;CS-0196806;FT-0620453;E78185;EN300-119433;A808857;A929282;J-008560

Chemical Property of 5-Hexynenitrile

Chemical Property:

• Appearance/Colour: clear colourless to amber liquid
• Vapor Pressure: 3.48mmHg at 25°C
• Refractive Index: n20/D 1.44(lit.)
• Boiling Point: 152.516 °C at 760 mmHg
• Flash Point: 42.222 °C
• PSA: 23.79000
• Density: 0.889 g/cm³
• LogP: 1.31348
• Storage Temp.: Flammables area
• Water Solubility.: Miscible with water.
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 93.057849228
• Heavy Atom Count: 7
• Complexity: 118

Purity/Quality:

98%,99%, ^*data from raw suppliers

5-Hexynenitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 10-20/21/22-36/37/38
• Safety Statements: 16-23-26-28-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C#CCCCC#N
• Uses: 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.