HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 598839Generated: October 23, 2026
4-Bromophenyl triflate
4-Bromophenyl triflate · 4-bromophenyltrifluoromethylsulfonylacidester · Methanesulfonic acid, 1,1,1-trifluoro-, 4-bromophenyl ester
https://huagongshe.com/en/chemical/598839
Identifiers & Physical Properties
| CAS No. | 129112-25-0 |
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| Molecular formula | C7H4BrF3O3S |
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| Average molar mass | 305.07 g/mol |
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| Monoisotopic mass | 303.90166175 g/mol |
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| SMILES | O=S(=O)(Oc1ccc(Br)cc1)C(F)(F)F |
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| InChIKey | UNYUEWLAYXLXHK-UHFFFAOYSA-N |
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| PubChem CID | 598839 |
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| DTXSID | DTXSID20926298 |
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Chemical & Physical Properties
| XLogP | 3.4 |
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| Topological polar surface area | 51.8 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 6 |
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| Rotatable bonds | 2 |
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| Heavy atoms | 15 |
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| Formal charge | 0 |
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| Complexity | 300 |
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| Boiling point | 100-102 °C(Press: 3.2 Torr) |
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| Density | 1.826±0.06 g/cm3(Predicted) |
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| Flash point | >110° |
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| Storage conditions | 2-8°C, sealed storage, away from moisture |
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| Appearance | Colorless to light yellow Liquid |
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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+P332+P313+P362+P364-P305+P351+P338+P337+P313 |
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| Customs code | 2905190098 |
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Safety & Regulations
| Customs code | 2905190098 |
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| Signal word | Warning |
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| GHS pictogram | GHS07 |
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| GHS hazard statements | H315-H319 |
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| GHS precautionary statements | P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313 |
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