≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.
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 | 488202131 |
|---|---|
| Canonical Smiles | C1=C(C=C(C=C1F)Br)OC(F)(F)F |
| IUPAC Name | 1-bromo-3-fluoro-5-(trifluoromethoxy)benzene |
| InChIKey | YSQUMHZTWVFXKK-UHFFFAOYSA-N |
| INCHI | 1S/C7H3BrF4O/c8-4-1-5(9)3-6(2-4)13-7(10,11)12/h1-3H |
| Isomeric SMILES | C1=C(C=C(C=C1F)Br)OC(F)(F)F |
| Molecular Weight | 259 |
| Reaxy-Rn | 29812056 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29812056&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 | Benzenoids |
| Class | Phenol ethers |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenol ethers |
| Alternative Parents | Phenoxy compounds Fluorobenzenes Bromobenzenes Aryl fluorides Aryl bromides Trihalomethanes Organooxygen compounds Organofluorides Organobromides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenoxy compound - Phenol ether - Halobenzene - Fluorobenzene - Bromobenzene - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Aryl bromide - Trihalomethane - Organic oxygen compound - Halomethane - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organobromide - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 D23191315 | Certificate of Analysis | Mar 15, 2023 | B576134 |
| D23191316 | Certificate of Analysis | Mar 15, 2023 | B576134 |
| D23191317 | Certificate of Analysis | Mar 15, 2023 | B576134 |
| D23191320 | Certificate of Analysis | Mar 15, 2023 | B576134 |
| D23191360 | Certificate of Analysis | Mar 15, 2023 | B576134 |
| D23191363 | Certificate of Analysis | Mar 15, 2023 | B576134 |
| D23191397 | Certificate of Analysis | Mar 15, 2023 | B576134 |
| D23191399 | Certificate of Analysis | Mar 15, 2023 | B576134 |
| J2531027 | Certificate of Analysis | Mar 15, 2023 | B576134 |
| Molecular Weight | 259.000 g/mol |
|---|---|
| XLogP3 | 3.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 257.93 Da |
| Monoisotopic Mass | 257.93 Da |
| Topological Polar Surface Area | 9.200 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 172.000 |
| 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 |
