methyl 4,4,4-trinitrobutanoate
methyl 4,4,4-trinitrobutanoate
CAS: 5857-63-6
| Molecular Formula | C5H7N3O8 |
|---|---|
| Molecular Weight | 237.12 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 164.0 A2 |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 237.02332 |
| Heavy Atoms | 16 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 5857-63-6 |
|---|---|
| SMILES | COC(=O)CCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | TYMXYABGSSSAQV-UHFFFAOYSA-N |
📖 Product Overview
methyl 4,4,4-trinitrobutanoate (CAS: 5857-63-6) is a chemical compound with molecular formula C5H7N3O8 and molecular weight 237.12 g/mol. Its IUPAC systematic name is methyl 4,4,4-trinitrobutanoate.
TYMXYABGSSSAQV-UHFFFAOYSA-N.
SMILES: COC(=O)CCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-].
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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Frequently Asked Questions
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📚 Academic Support
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