HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 4160271Generated: October 28, 2026
3-bromo-N-ethylbenzamide
3-Bromo-N-ethylbenzamide · Benzamide, 3-bromo-N-ethyl- · 3-bromo-N-ethylbenzamide(SALTDATA: FREE)
https://huagongshe.com/en/chemical/4160271
Identifiers & Physical Properties
| CAS No. | 26819-10-3 |
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| Molecular formula | C9H10BrNO |
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| Average molar mass | 228.09 g/mol |
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| Monoisotopic mass | 226.99458 g/mol |
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| SMILES | CCNC(=O)c1cccc(Br)c1 |
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| InChIKey | BYCKUGXGVHIJFY-UHFFFAOYSA-N |
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| PubChem CID | 4160271 |
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| DTXSID | DTXSID80400089 |
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Chemical & Physical Properties
| XLogP | 2.4 |
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| Topological polar surface area | 29.1 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 1 |
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| Rotatable bonds | 2 |
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| Heavy atoms | 12 |
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| Formal charge | 0 |
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| Complexity | 161 |
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| Melting point | 81-82 °C(Solv: ethyl acetate (141-78-6)hexane (110-54-3)) |
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| Boiling point | 329.9±25.0 °C(Predicted) |
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| Density | 1.403±0.06 g/cm3(Predicted) |
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| pKa (acidity coefficient) | 14.86±0.46(Predicted) |
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| GHS pictogram | GHS07 |
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| Signal word | Warning |
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| GHS hazard statements | H315-H319 |
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| GHS precautionary statements | P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313 |
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| Hazard symbols | Xi |
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Safety & Regulations
| Signal word | Warning |
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| GHS pictogram | GHS07 |
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| Hazard symbols | Xi |
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| GHS hazard statements | H315-H319 |
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| GHS precautionary statements | P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313 |
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