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≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488192800 |
|---|---|
| Sonrisas canónicas | C1=CC(=CC(=C1)Br)SC(F)(F)F |
| IUPAC Name | 1-bromo-3-(trifluoromethylsulfanyl)benzene |
| InChIKey | OLHXBVBNFOHXOB-UHFFFAOYSA-N |
| INCHI | 1S/C7H4BrF3S/c8-5-2-1-3-6(4-5)12-7(9,10)11/h1-4H |
| Isómeros SMILES | C1=CC(=CC(=C1)Br)SC(F)(F)F |
| Peso molecular | 257.07 |
| Reaxy-Rn | 2208857 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2208857&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organosulfur compounds |
| Clase | Thioethers |
| Subclass | Aryl thioethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aryl thioethers |
| Alternative Parents | Thiophenol ethers Bromobenzenes Alkylarylthioethers Aryl bromides Trihalomethanes Sulfenyl compounds Organofluorides Organobromides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Aryl thioether - Thiophenol ether - Bromobenzene - Halobenzene - Alkylarylthioether - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Trihalomethane - Sulfenyl compound - Organobromide - Organohalogen compound - Halomethane - Alkyl halide - Organofluoride - Hydrocarbon derivative - Alkyl fluoride - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
| Certificate of Analysis | Jul 18, 2025 | B192162 | |
| Certificate of Analysis | Jul 18, 2025 | B192162 | |
| Certificate of Analysis | Jul 18, 2025 | B192162 | |
| Certificate of Analysis | Jul 18, 2025 | B192162 | |
| Certificate of Analysis | Jul 18, 2025 | B192162 | |
| Certificate of Analysis | Jul 15, 2025 | B192162 | |
| Certificate of Analysis | Aug 08, 2022 | B192162 | |
| Certificate of Analysis | Aug 08, 2022 | B192162 |
| Peso molecular | 257.070 g/mol |
|---|---|
| XLogP3 | 4.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 255.917 Da |
| Monoisotopic Mass | 255.917 Da |
| Topological Polar Surface Area | 25.300 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 148.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |