1-[(3-Bromoprop-2-yn-1-yl)oxy]-3-nitrobenzene

Base Information

• Chemical Name: 1-[(3-Bromoprop-2-yn-1-yl)oxy]-3-nitrobenzene
• CAS No.: 58811-51-1
• Molecular Formula: C₉H₆BrNO₃
• Molecular Weight: 256.056
• DSSTox Substance ID: DTXSID40579164
• Wikidata: Q82469595
• Mol file: 58811-51-1.mol

Synonyms:58811-51-1;1-[(3-Bromoprop-2-yn-1-yl)oxy]-3-nitrobenzene;DTXSID40579164

Chemical Property of 1-[(3-Bromoprop-2-yn-1-yl)oxy]-3-nitrobenzene

Chemical Property:

• Boiling Point: 379.1±48.0 °C(Predicted)
• PSA: 55.05000
• Density: 1.654±0.06 g/cm3(Predicted)
• LogP: 2.85260
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 254.95311
• Heavy Atom Count: 14
• Complexity: 262

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)OCC#CBr)[N+](=O)[O-]