≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Protected from light 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 | COC1=C(C=C(C=C1F)Br)N |
|---|---|
| IUPAC Name | 5-bromo-3-fluoro-2-methoxyaniline |
| InChIKey | IRAJTRFSBJFFGT-UHFFFAOYSA-N |
| INCHI | 1S/C7H7BrFNO/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3H,10H2,1H3 |
| Isomeric SMILES | COC1=C(C=C(C=C1F)Br)N |
| Alternate CAS | 239122-51-1 |
| PubChem CID | 53418424 |
| Molecular Weight | 220.04 |
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 | Aminophenyl ethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aminophenyl ethers |
| Alternative Parents | Methoxyanilines Phenoxy compounds Methoxybenzenes Anisoles Fluorobenzenes Bromobenzenes Alkyl aryl ethers Aryl fluorides Aryl bromides Primary amines Organopnictogen compounds Organofluorides Organobromides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Aminophenyl ether - Methoxyaniline - Phenoxy compound - Anisole - Methoxybenzene - Aniline or substituted anilines - Alkyl aryl ether - Bromobenzene - Fluorobenzene - Halobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Ether - Organohalogen compound - Primary amine - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Organobromide - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aminophenyl ethers. These are aromatic compounds that contain a phenol ether, which carries an amine group on the 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 |
|---|---|---|---|
 A2628375 | Certificate of Analysis | Nov 18, 2025 | B635824 |
| A2628376 | Certificate of Analysis | Nov 18, 2025 | B635824 |
| A2628377 | Certificate of Analysis | Nov 18, 2025 | B635824 |
| A2628381 | Certificate of Analysis | Nov 18, 2025 | B635824 |
| Sensitivity | Light sensitive |
|---|---|
| Molecular Weight | 220.040 g/mol |
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 218.97 Da |
| Monoisotopic Mass | 218.97 Da |
| Topological Polar Surface Area | 35.300 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 136.000 |
| 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 |
