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

Base Information

• Chemical Name: 4-(5-Propyl-1,3-dioxan-2-yl)benzonitrile
• CAS No.: 80285-16-1
• Molecular Formula: C14H17NO2
• Molecular Weight: 231.2903
• Hs Code.: 2932999099
• European Community (EC) Number: 277-786-9,279-441-8
• DSSTox Substance ID: DTXSID50887782,DTXSID901001145
• Nikkaji Number: J201.479C,J320.257G
• Mol file: 80285-16-1.mol

Synonyms:4-(5-Propyl-1,3-dioxan-2-yl)benzonitrile;80285-16-1;2-(4-Cyanophenyl)-5-n-propyl-1,3-dioxane;74240-64-5;trans-4-(5-Propyl-1,3-dioxan-2-yl)benzonitrile;Benzonitrile, 4-(trans-5-propyl-1,3-dioxan-2-yl)-;EINECS 277-786-9;EINECS 279-441-8;Benzonitrile, 4-(5-propyl-1,3-dioxan-2-yl)-, trans-;SCHEMBL1934042;SCHEMBL1934043;DTXSID50887782;DTXSID901001145;HMS1580B04;MFCD00799426;AKOS015917725;AKOS025117002;FT-0742131;FT-0756796;4-(5-Propyl-1,3-dioxan-2-yl)benzonitrile #;AB00079969-01;SR-01000398886;4-(5beta-Propyl-1,3-dioxan-2alpha-yl)benzonitrile;SR-01000398886-1;4-(trans-5-n-propyl-1,3-dioxan-2-yl)-benzonitrile

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

Chemical Property:

• Melting Point: 58-60 °C
• Boiling Point: 366.3 °C at 760 mmHg
• Flash Point: 132.7 °C
• PSA: 42.25000
• Density: 1.1 g/cm³
• LogP: 3.01998
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 231.125928785
• Heavy Atom Count: 17
• Complexity: 267

Purity/Quality:

99% ^*data from raw suppliers

2-(4-CYANOPHENYL)-5-N-PROPYL-1,3-DIOXANE 95.00% ^*data from reagent suppliers

Safty Information:

• Statements: 20/21/22
• Safety Statements: 22-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1COC(OC1)C2=CC=C(C=C2)C#N