butan-2-yl 4,4,4-trinitrobutanoate
butan-2-yl 4,4,4-trinitrobutanoate
CAS: 13012-99-2
| Molecular Formula | C8H13N3O8 |
|---|---|
| Molecular Weight | 279.2 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 164.0 A2 |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 279.07025 |
| Heavy Atoms | 19 |
| Complexity | 343.0 |
Chemical Identifiers
| CAS Number | 13012-99-2 |
|---|---|
| SMILES | CCC(C)OC(=O)CCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | SAQOAZNTNYHGLK-UHFFFAOYSA-N |
📖 Product Overview
butan-2-yl 4,4,4-trinitrobutanoate (CAS: 13012-99-2) is a chemical compound with molecular formula C8H13N3O8 and molecular weight 279.2 g/mol. Its IUPAC systematic name is butan-2-yl 4,4,4-trinitrobutanoate.
SAQOAZNTNYHGLK-UHFFFAOYSA-N.
SMILES: CCC(C)OC(=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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📚 Academic Support
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