HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 16640644Generated: November 4, 2026
3-(4-bromo-1H-pyrazol-1-yl)propan-1-ol
AKOS B023947 · AKOS PAO-1044 · ART-CHEM-BB B023947 · 4-Bromo-1H-pyrazole-1-propanol · 1H-Pyrazole-1-propanol, 4-bromo- · 3-(4-bromopyrazol-1-yl)propan-1-ol · 4-BroMo-1-(3-hydroxypropyl)pyrazole
https://huagongshe.com/en/chemical/16640644
Identifiers & Physical Properties
| CAS No. | 925180-06-9 |
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| Molecular formula | C6H9BrN2O |
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| Average molar mass | 205.05 g/mol |
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| Monoisotopic mass | 203.98982501 g/mol |
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| SMILES | OCCCn1cc(Br)cn1 |
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| InChIKey | YQLRCJHEXNYUIH-UHFFFAOYSA-N |
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| PubChem CID | 16640644 |
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| DTXSID | DTXSID40586333 |
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Chemical & Physical Properties
| XLogP | 0.5 |
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| Topological polar surface area | 38.1 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 2 |
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| Rotatable bonds | 3 |
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| Heavy atoms | 10 |
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| Formal charge | 0 |
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| Complexity | 102 |
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| Boiling point | 318.8±22.0 °C(Predicted) |
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| Density | 1.63±0.1 g/cm3(Predicted) |
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| pKa (acidity coefficient) | 14.84±0.10(Predicted) |
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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 | P280-P305+P351+P338 |
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| Hazard symbols | Xi |
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| Hazard class | IRRITANT |
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| Customs code | 2933199090 |
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Safety & Regulations
| Customs code | 2933199090 |
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| Signal word | Warning |
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| GHS pictogram | GHS07 |
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| Hazard symbols | Xi |
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| Hazard class | IRRITANT |
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| GHS hazard statements | H302-H315-H319-H335 |
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| GHS precautionary statements | P280-P305+P351+P338 |
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