2,2,2-trinitroethyl 1H-pyrazole-5-carboxylate

Base Information

• Chemical Name: 2,2,2-trinitroethyl 1H-pyrazole-5-carboxylate
• CAS No.: 6117-57-3
• Molecular Formula: C₁₇H₁₃HgNO₃
• Molecular Weight: 479.885
• DSSTox Substance ID: DTXSID40410346
• Wikidata: Q82216473

Synonyms:6117-57-3;2,2,2-trinitroethyl 1H-pyrazole-5-carboxylate;DTXSID40410346

Chemical Property of 2,2,2-trinitroethyl 1H-pyrazole-5-carboxylate

Chemical Property:

• Vapor Pressure: 5.96E-09mmHg at 25°C
• Boiling Point: 468.5°Cat760mmHg
• Flash Point: 237.1°C
• Density: 1.789g/cm³
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 275.01381213
• Heavy Atom Count: 19
• Complexity: 371

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

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

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