4-[(2S)-5-pentyl-4H-1,3-dioxin-2-yl]benzonitrile

Base Information

• Chemical Name: 4-[(2S)-5-pentyl-4H-1,3-dioxin-2-yl]benzonitrile
• CAS No.: 74240-66-7
• Molecular Formula: C16H21NO2
• Molecular Weight: 259.34
• Hs Code.: 2932999099
• Wikidata: Q76280230
• Mol file: 74240-66-7.mol

Synonyms:4-[(2S)-5-pentyl-4H-1,3-dioxin-2-yl]benzonitrile;AKOS015917726

Chemical Property of 4-[(2S)-5-pentyl-4H-1,3-dioxin-2-yl]benzonitrile

Chemical Property:

• Vapor Pressure: 5.15E-07mmHg at 25°C
• Refractive Index: 1.543
• Boiling Point: 393 °C at 760 mmHg
• Flash Point: 134.9 °C
• PSA: 42.25000
• Density: 1.07 g/cm³
• LogP: 3.80018
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 257.141578849
• Heavy Atom Count: 19
• Complexity: 347

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC1=COC(OC1)C2=CC=C(C=C2)C#N
• Isomeric SMILES: CCCCCC1=CO[C@H](OC1)C2=CC=C(C=C2)C#N