7-Nitroisoquinolin-1(2H)-one

Base Information

• Chemical Name: 7-Nitroisoquinolin-1(2H)-one
• CAS No.: 20141-83-7
• Molecular Formula: C9H6N2O3
• Molecular Weight: 190.15600
• Hs Code.: 2933790090
• DSSTox Substance ID: DTXSID20452103
• Nikkaji Number: J659.540E
• Wikidata: Q82272491
• Mol file: 20141-83-7.mol

Synonyms:7-NITROISOQUINOLIN-1(2H)-ONE;20141-83-7;7-nitro-2H-isoquinolin-1-one;7-nitroisocarbostyril;SCHEMBL5386815;7-NITROISOQUINOLIN-1-OL;DTXSID20452103;GEO-03856;MFCD15526743;AKOS016009038;7-nitro-1,2-dihydroisoquinolin-1-one;AB70072;DS-4481;CS-0043088;FT-0741148;EN300-202435;A879815;Z2306624620

Chemical Property of 7-Nitroisoquinolin-1(2H)-one

Chemical Property:

• Melting Point: 261-263℃ (ethyl acetate )
• Boiling Point: 477.9±45.0 °C(Predicted)
• PKA: 11.11±0.20(Predicted)
• PSA: 78.94000
• Density: 1.419±0.06 g/cm3(Predicted)
• LogP: 2.37180
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 190.03784206
• Heavy Atom Count: 14
• Complexity: 295

Purity/Quality:

98%min ^*data from raw suppliers

7-Nitroisoquinolin-1(2H)-one 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC2=C1C=CNC2=O)[N+](=O)[O-]