4-(5-Ethyl-1,3-dioxan-2-yl)benzonitrile

Base Information

• Chemical Name: 4-(5-Ethyl-1,3-dioxan-2-yl)benzonitrile
• CAS No.: 84731-61-3
• Molecular Formula: C13H15 N O2
• Molecular Weight: 217.2637
• European Community (EC) Number: 283-820-3
• UNII: 2JUQ17861S,9H0Y0Z3V0L
• DSSTox Substance ID: DTXSID301005032
• Nikkaji Number: J309.117A
• Wikidata: Q27254835,Q27272541
• Mol file: 84731-61-3.mol

Synonyms:4-(5-Ethyl-1,3-dioxan-2-yl)benzonitrile;84731-61-3;EINECS 283-820-3;UNII-2JUQ17861S;9H0Y0Z3V0L;2JUQ17861S;4-(5-Ethyl-1,3-dioxan-2-yl)benzonitrile, trans-;Benzonitrile, 4-(trans-5-ethyl-1,3-dioxan-2-yl)-;74240-63-4;Benzonitrile, 4-(5-ethyl-1,3-dioxan-2-yl)-, trans-;4-(5-Ethyl-1,3-dioxan-2-yl)benzonitrile, cis-;Benzonitrile, 4-(cis-5-ethyl-1,3-dioxan-2-yl)-;Benzonitrile, 4-(5-ethyl-1,3-dioxan-2-yl)-, cis-;1393826-78-2;UNII-9H0Y0Z3V0L;SCHEMBL7908260;SCHEMBL12542923;DTXSID301005032;FT-0709318;FT-0764167;cis-4-(5-ethyl-1,3-dioxan-2-yl)benzonitrile;trans-4-(5-ethyl-1,3-dioxan-2-yl)benzonitrile;Q27254835;Q27272541

Chemical Property of 4-(5-Ethyl-1,3-dioxan-2-yl)benzonitrile

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 352.979°C at 760 mmHg
• Flash Point: 131.888°C
• PSA: 42.25000
• Density: 1.123g/cm³
• LogP: 2.62988
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 217.110278721
• Heavy Atom Count: 16
• Complexity: 254

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1COC(OC1)C2=CC=C(C=C2)C#N