5-Nitro-1,3-dioxane

Base Information

• Chemical Name: 5-Nitro-1,3-dioxane
• CAS No.: 4064-86-2
• Molecular Formula: C4H7NO4
• Molecular Weight: 133.104
• European Community (EC) Number: 968-988-4
• DSSTox Substance ID: DTXSID10516642
• Nikkaji Number: J787.190B
• Wikidata: Q82378147
• Mol file: 4064-86-2.mol

Synonyms:5-nitro-1,3-dioxane;4064-86-2;SCHEMBL5907412;DTXSID10516642;EN300-37459369

Chemical Property of 5-Nitro-1,3-dioxane

Chemical Property:

• XLogP3: -0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 133.03750770
• Heavy Atom Count: 9
• Complexity: 104

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(COCO1)[N+](=O)[O-]