4-Bromo-6-nitroisoindolin-1-one

Base Information

• Chemical Name: 4-Bromo-6-nitroisoindolin-1-one
• CAS No.: 1269293-73-3
• Molecular Formula: C8H5BrN2O3
• Molecular Weight: 257.0409
• Hs Code.: 2933790090
• DSSTox Substance ID: DTXSID60697450
• Wikidata: Q82627351
• Mol file: 1269293-73-3.mol

Synonyms:4-BROMO-6-NITROISOINDOLIN-1-ONE;1269293-73-3;4-bromo-6-nitro-2,3-dihydroisoindol-1-one;DTXSID60697450;AKOS022172730;SB65996;4-Bromo-6-nitro-2,3-dihydro-1H-isoindol-1-one

Chemical Property of 4-Bromo-6-nitroisoindolin-1-one

Chemical Property:

• Boiling Point: 529.8±50.0 °C(Predicted)
• PKA: 11.66±0.20(Predicted)
• PSA: 78.41000
• Density: 1.848±0.06 g/cm3(Predicted)
• LogP: 2.13430
• Storage Temp.: 2-8°C
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 255.94835
• Heavy Atom Count: 14
• Complexity: 278

Purity/Quality:

98%min ^*data from raw suppliers

4-Bromo-6-nitroisoindolin-1-one 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2=C(C=C(C=C2Br)[N+](=O)[O-])C(=O)N1