1,4-Dioxane-2-carbonitrile

Base Information

• Chemical Name: 1,4-Dioxane-2-carbonitrile
• CAS No.: 14717-00-1
• Molecular Formula: C5H7 N O2
• Molecular Weight: 113.11458
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID90544665
• Nikkaji Number: J2.962.407K
• Mol file: 14717-00-1.mol

Synonyms:1,4-Dioxane-2-carbonitrile;14717-00-1;P-DIOXANE-2-CARBONITRILE;2-cyano-1,4-dioxane;SCHEMBL668555;DTXSID90544665;NZQWLOOEEUGXBA-UHFFFAOYSA-N;MFCD08703641;BS-36844;CS-0358046

Chemical Property of 1,4-Dioxane-2-carbonitrile

Chemical Property:

• Boiling Point: 98 °C(Press: 20 Torr)
• PSA: 42.25000
• Density: 1.1474 g/cm3
• LogP: -0.07462
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 113.047678466
• Heavy Atom Count: 8
• Complexity: 115

Purity/Quality:

98%min ^*data from raw suppliers

1,4-Dioxane-2-carbonitrile 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COC(CO1)C#N