≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Desiccated 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.
| Canonical Smiles | C1=CC(=C(C=C1O)OC(F)(F)F)Br |
|---|---|
| IUPAC Name | 4-bromo-3-(trifluoromethoxy)phenol |
| InChIKey | PGJZBAVEKVWHIO-UHFFFAOYSA-N |
| INCHI | 1S/C7H4BrF3O2/c8-5-2-1-4(12)3-6(5)13-7(9,10)11/h1-3,12H |
| Isomeric SMILES | C1=CC(=C(C=C1O)OC(F)(F)F)Br |
| Molecular Weight | 257.006 |
| Reaxy-Rn | 21510961 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21510961&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 P-bromophenols Bromobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl bromides Trihalomethanes Organooxygen compounds Organofluorides Organobromides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenoxy compound - Phenol ether - 4-bromophenol - 4-halophenol - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Trihalomethane - Alkyl fluoride - Organohalogen compound - Organobromide - Organofluoride - Organooxygen compound - Hydrocarbon derivative - Halomethane - Organic oxygen compound - Alkyl halide - 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 |
| Melt Point(°C) | 45-49°C |
|---|---|
| Molecular Weight | 257.000 g/mol |
| XLogP3 | 3.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 255.935 Da |
| Monoisotopic Mass | 255.935 Da |
| Topological Polar Surface Area | 29.500 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 174.000 |
| 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 |
