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

Base Information

• Chemical Name: 4-(5-Butyl-1,3-dioxan-2-yl)benzonitrile
• CAS No.: 74800-54-7
• Molecular Formula: C15H19NO2
• Molecular Weight: 245.31686
• Hs Code.: 2932999099
• European Community (EC) Number: 278-000-7,616-070-6
• DSSTox Substance ID: DTXSID80225774,DTXSID10887783
• Nikkaji Number: J349.467E,J201.498J
• Mol file: 74800-54-7.mol

Synonyms:4-(5-Butyl-1,3-dioxan-2-yl)benzonitrile;74800-54-7;74240-65-6;TRANS-2-(4-CYANOPHENYL)-5-N-BUTYL-1,3-DIOXANE;trans-4-(5-Butyl-[1,3]dioxan-2-yl)-benzonitrile;Benzonitrile, 4-(trans-5-butyl-1,3-dioxan-2-yl)-;EINECS 278-000-7;4-(trans-5-Butyl-1,3-dioxan-2-yl)benzonitrile;TRANS-4-(5-BUTYL-1,3-DIOXANE-2-YL)BENZENENITRIL;4-((2r,5r)-5-butyl-1,3-dioxan-2-yl)benzonitrile;SCHEMBL1934266;SCHEMBL7910396;DTXSID10887783;DTXSID80225774;ZCA80054;MFCD03065939;AKOS015917759;DS-3251;BS-41676;CS-0061472;CS-0160315;FT-0725099;4-(5-Butyl-1,3-dioxan-2-yl)benzonitrile #;D82087;Benzonitrile, 4-(5-butyl-1,3-dioxan-2-yl)-;p-(trans-5-butyl-1,3-dioxan-2-yl)benzonitrile;A929395;4-(5beta-Butyl-1,3-dioxan-2alpha-yl)benzonitrile;4-(trans-5-n-butyl-1,3-dioxan-2-yl)-benzonitrile;Benzonitrile, 4-(5-butyl-1,3-dioxan-2-yl)-, trans-

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

Chemical Property:

• Appearance/Colour: white or light yellow powder
• Vapor Pressure: 5.76E-06mmHg at 25°C
• Refractive Index: 1.529
• Boiling Point: 379.7 °C at 760 mmHg
• Flash Point: 133.8 °C
• PSA: 42.25000
• Density: 1.08 g/cm³
• LogP: 3.41008
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 245.141578849
• Heavy Atom Count: 18
• Complexity: 280

Purity/Quality:

99% ^*data from raw suppliers

4-(5-Butyl-1,3-dioxan-2-yl)benzonitrile 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1COC(OC1)C2=CC=C(C=C2)C#N