HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 1715369Generated: October 23, 2026
2,5-Bis(3-nitrophenyl)-1,3,4-oxadiazole
2,5-Bis(3-nitrophenyl)-1,3,4-oxadiazole · 1,3,4-Oxadiazole, 2,5-bis(3-nitrophenyl)-
https://huagongshe.com/en/chemical/1715369
Identifiers & Physical Properties
| CAS No. | 2491-89-6 |
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| Molecular formula | C14H8N4O5 |
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| Average molar mass | 312.24 g/mol |
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| Monoisotopic mass | 312.04946936 g/mol |
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| SMILES | O=[N+]([O-])c1cccc(-c2nnc(-c3cccc([N+](=O)[O-])c3)o2)c1 |
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| InChIKey | MBOTVYMOQXKMAR-UHFFFAOYSA-N |
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| PubChem CID | 1715369 |
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| EC No. | 678-068-1 |
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| DTXSID | DTXSID00364937 |
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Chemical & Physical Properties
| XLogP | 2.7 |
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| Topological polar surface area | 131 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 7 |
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| Rotatable bonds | 2 |
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| Heavy atoms | 23 |
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| Formal charge | 0 |
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| Complexity | 411 |
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| Melting point | 225-226 °C |
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| Boiling point | 523.0±60.0 °C(Predicted) |
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| Density | 1.466±0.06 g/cm3(Predicted) |
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| pKa (acidity coefficient) | -6.30±0.44(Predicted) |
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Safety & Regulations
| GHS classification | DangerH242 (100%): Heating may cause a fire [Danger Self-reactive substances and mixturesOrganic peroxides]P210, P234, P235, P240, P280, P370+P378, P403, P410, P411, P420, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Self-react. C (100%) |
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