6-Bromo-4-nitroisoindolin-1-one

Base Information

• Chemical Name: 6-Bromo-4-nitroisoindolin-1-one
• CAS No.: 1269291-06-6
• Molecular Formula: C8H5BrN2O3
• Molecular Weight: 257.0409
• Hs Code.: 2933790090
• DSSTox Substance ID: DTXSID10697460
• Wikidata: Q82627364
• Mol file: 1269291-06-6.mol

Synonyms:6-BROMO-4-NITROISOINDOLIN-1-ONE;1269291-06-6;6-bromo-4-nitro-2,3-dihydroisoindol-1-one;DTXSID10697460;AKOS022172717;SB65366;6-Bromo-4-nitro-2,3-dihydro-1H-isoindol-1-one

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

Chemical Property:

• Boiling Point: 514.0±50.0 °C(Predicted)
• PKA: 11.97±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:

97% ^*data from raw suppliers

6-Bromo-4-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=C2[N+](=O)[O-])Br)C(=O)N1