1-Nitropyrene-4,5-quinone

Base Information

• Chemical Name: 1-Nitropyrene-4,5-quinone
• CAS No.: 102822-04-8
• Molecular Formula: C16H7 N O4
• Molecular Weight: 277.2311
• UNII: Q2FA93J8ZJ
• DSSTox Substance ID: DTXSID00145526
• Wikidata: Q83010093

Synonyms:1-Nitropyrene-4,5-quinone;4,5-Pyrenedione, 1-nitro-;1-Nitro-4,5-pyrenedione;1-nitropyrene-4,5-dione;Q2FA93J8ZJ;102822-04-8;CCRIS 2206;UNII-Q2FA93J8ZJ;SCHEMBL7998420;DTXSID00145526

Chemical Property of 1-Nitropyrene-4,5-quinone

Chemical Property:

• Vapor Pressure: 1.5E-12mmHg at 25°C
• Boiling Point: 559.5°Cat760mmHg
• Flash Point: 293.4°C
• Density: 1.594g/cm³
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 277.03750770
• Heavy Atom Count: 21
• Complexity: 511

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C3C(=C1)C(=O)C(=O)C4=C3C(=C(C=C4)[N+](=O)[O-])C=C2

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