1,3,5-Tributoxy-2,4,6-trinitrobenzene

Base Information

• Chemical Name: 1,3,5-Tributoxy-2,4,6-trinitrobenzene
• CAS No.: 68959-38-6
• Molecular Formula: C18H27N3O9
• Molecular Weight: 429.43
• DSSTox Substance ID: DTXSID3071931
• Nikkaji Number: J441.271K
• Wikidata: Q81999776
• Mol file: 68959-38-6.mol

Synonyms:1,3,5-Tributoxy-2,4,6-trinitrobenzene;68959-38-6;Benzene, 1,3,5-tributoxy-2,4,6-trinitro-;C15H16NOS.Br;DTXSID3071931;C15-H16-N-O-S.Br;C18H27N3O9

Chemical Property of 1,3,5-Tributoxy-2,4,6-trinitrobenzene

Chemical Property:

• Vapor Pressure: 4.6E-13mmHg at 25°C
• Boiling Point: 585.1°C at 760 mmHg
• Flash Point: 224.5°C
• PSA: 0.00000
• Density: 1.242g/cm³
• LogP: 0.00000
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 12
• Exact Mass: 429.17472945
• Heavy Atom Count: 30
• Complexity: 452

Purity/Quality:

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CCCCOC1=C(C(=C(C(=C1[N+](=O)[O-])OCCCC)[N+](=O)[O-])OCCCC)[N+](=O)[O-]

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