2-Pentanone, 5,5,5-trinitro-

Base Information

• Chemical Name: 2-Pentanone, 5,5,5-trinitro-
• CAS No.: 5029-48-1
• Molecular Formula: C5H7N3O7
• Molecular Weight: 221.126
• DSSTox Substance ID: DTXSID00198294
• Wikidata: Q83071068
• Mol file: 5029-48-1.mol

Synonyms:2-Pentanone, 5,5,5-trinitro-;5,5,5-Trinitro-2-pentanone;BRN 1798900;5029-48-1;4-01-00-03279 (Beilstein Handbook Reference);5,5,5-trinitropentan-2-one;C5H7N3O7;DTXSID00198294;C5-H7-N3-O7;LS-102012

Chemical Property of 2-Pentanone, 5,5,5-trinitro-

Chemical Property:

• Vapor Pressure: 0.000889mmHg at 25°C
• Boiling Point: 304.2°Cat760mmHg
• Flash Point: 142.8°C
• Density: 1.508g/cm³
• XLogP3: 0
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 221.02839957
• Heavy Atom Count: 15
• Complexity: 272

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)CCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]