5-Bromo-2,2-dimethyl-5-nitro-1,3-dioxane

Base Information

• Chemical Name: 5-Bromo-2,2-dimethyl-5-nitro-1,3-dioxane
• CAS No.: 60766-57-6
• Molecular Formula: C6H10BrNO4
• Molecular Weight: 240.054
• ChEMBL ID: CHEMBL408488
• DSSTox Substance ID: DTXSID10547158
• Nikkaji Number: J2.880.324I
• Pharos Ligand ID: AZQ2UAWP5GGQ
• Wikidata: Q82425211
• Mol file: 60766-57-6.mol

Synonyms:CHEMBL408488;60766-57-6;5-bromo-2,2-dimethyl-5-nitro-1,3-dioxane;SCHEMBL10447506;DTXSID10547158;JPAOVDVRWCPYCH-UHFFFAOYSA-N;BDBM50375409;PD119493;2,2-dimethyl-5-nitro-5-bromo-1,3-dioxane;5-bromo-2,2-dimethyl-5-nitro- 1,3-dioxane

Chemical Property of 5-Bromo-2,2-dimethyl-5-nitro-1,3-dioxane

Chemical Property:

• Melting Point: 80°C
• Refractive Index: 1.6500 (estimate)
• PSA: 64.28000
• Density: 1.8054 (rough estimate)
• LogP: 1.66040
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 238.97932
• Heavy Atom Count: 12
• Complexity: 190

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1(OCC(CO1)([N+](=O)[O-])Br)C