HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 11355708Generated: October 28, 2026
1-(Tert-butyl)-4-nitro-1H-pyrazole
1-tert-butyl-4-nitropyrazole · 1-(Tert-butyl)-4-nitro-1H-pyrazole · 1-(1,1-dimethylethyl)-4-nitro-1H-Pyrazole · 1H-Pyrazole, 1-(1,1-dimethylethyl)-4-nitro- · 1-(tert-Butyl)-4-nitro-1H-pyrazole - [B93944]
https://huagongshe.com/en/chemical/11355708
Identifiers & Physical Properties
| CAS No. | 97421-12-0 |
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| Molecular formula | C7H11N3O2 |
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| Average molar mass | 169.18 g/mol |
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| Monoisotopic mass | 169.0851266 g/mol |
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| SMILES | CC(C)(C)n1cc([N+](=O)[O-])cn1 |
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| InChIKey | FPKZTRHYFSEGRN-UHFFFAOYSA-N |
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| PubChem CID | 11355708 |
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| DTXSID | DTXSID50463282 |
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Chemical & Physical Properties
| XLogP | 1 |
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| Topological polar surface area | 63.6 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 3 |
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| Rotatable bonds | 1 |
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| Heavy atoms | 12 |
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| Formal charge | 0 |
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| Complexity | 182 |
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| Melting point | 76-77 °C |
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| Boiling point | 261.9±13.0 °C(Predicted) |
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| Density | 1.20±0.1 g/cm3(Predicted) |
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| Storage conditions | 2-8°C |
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| pKa (acidity coefficient) | -2.01±0.10(Predicted) |
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| Physical state | crystalline solid |
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| Color | White to off-white |
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| GHS pictogram | GHS07 |
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| Signal word | Warning |
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| GHS hazard statements | H302-H315-H319-H335 |
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| GHS precautionary statements | P261-P305+P351+P338 |
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Safety & Regulations
| Signal word | Warning |
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| GHS pictogram | GHS07 |
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| GHS hazard statements | H302-H315-H319-H335 |
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| GHS precautionary statements | P261-P305+P351+P338 |
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