≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 | B(C1=CC(=C(C=C1F)Br)C)(O)O |
|---|---|
| IUPAC Name | (4-bromo-2-fluoro-5-methylphenyl)boronic acid |
| InChIKey | IZFBYUHHOMKXAR-UHFFFAOYSA-N |
| INCHI | 1S/C7H7BBrFO2/c1-4-2-5(8(11)12)7(10)3-6(4)9/h2-3,11-12H,1H3 |
| Isomeric SMILES | B(C1=CC(=C(C=C1F)Br)C)(O)O |
| Molecular Weight | 232.8 |
| Reaxy-Rn | 53833294 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=53833294&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 | Benzene and substituted derivatives |
| Subclass | Halobenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Fluorobenzenes |
| Alternative Parents | Toluenes Bromobenzenes Aryl fluorides Aryl bromides Boronic acids Organic metalloid salts Organofluorides Organobromides Organoboron compounds Organic oxygen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Bromobenzene - Toluene - Fluorobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Boronic acid derivative - Boronic acid - Organic metalloid salt - Organohalogen compound - Organofluoride - Organic salt - Organic oxygen compound - Hydrocarbon derivative - Organoboron compound - Organobromide - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring. |
| External Descriptors | Not available |
| Molecular Weight | 232.840 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 231.971 Da |
| Monoisotopic Mass | 231.971 Da |
| Topological Polar Surface Area | 40.500 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 158.000 |
| 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 |
