2-Formyl-4-nitropyridine 1-oxide

Base Information

• Chemical Name: 2-Formyl-4-nitropyridine 1-oxide
• CAS No.: 65227-58-9
• Molecular Formula: C6H4N2O4
• Molecular Weight: 168.10700
• DSSTox Substance ID: DTXSID50497648
• Wikidata: Q82347333
• Mol file: 65227-58-9.mol

Synonyms:2-formyl-4-nitropyridine 1-oxide;65227-58-9;4-Nitro-2-formylpyridine N-oxide;4-nitro-1-oxidopyridin-1-ium-2-carbaldehyde;DTXSID50497648;FT-0726648;4-Nitro-1-oxo-1lambda~5~-pyridine-2-carbaldehyde

Chemical Property of 2-Formyl-4-nitropyridine 1-oxide

Chemical Property:

• Melting Point: 110-112 °C(Solv: benzene (71-43-2))
• Boiling Point: 458.6±30.0 °C(Predicted)
• PKA: -2.33±0.10(Predicted)
• PSA: 88.35000
• Density: 1.51±0.1 g/cm3(Predicted)
• LogP: 1.35900
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 168.01710661
• Heavy Atom Count: 12
• Complexity: 191

Purity/Quality:

99% ^*data from raw suppliers

2-Formyl-4-nitropyridine1-oxide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C[N+](=C(C=C1[N+](=O)[O-])C=O)[O-]

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