≥95% 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(=CC(=C1F)C(F)(F)F)Cl)(O)O |
|---|---|
| IUPAC Name | [5-chloro-2-fluoro-3-(trifluoromethyl)phenyl]boronic acid |
| InChIKey | YLUJXEGLBJMSAT-UHFFFAOYSA-N |
| INCHI | 1S/C7H4BClF4O2/c9-3-1-4(7(11,12)13)6(10)5(2-3)8(14)15/h1-2,14-15H |
| Molecular Weight | 242.36 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Trifluoromethylbenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Trifluoromethylbenzenes |
| Alternative Parents | Fluorobenzenes Chlorobenzenes Boronic acids Vinyl fluorides Vinyl chlorides Organic metalloid salts Fluoroalkenes Chloroalkenes Organofluorides Organochlorides Organoboron compounds Organic oxygen compounds Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Trifluoromethylbenzene - Halobenzene - Fluorobenzene - Chlorobenzene - Boronic acid - Boronic acid derivative - Organic metalloid salt - Fluoroalkene - Chloroalkene - Haloalkene - Vinyl halide - Vinyl fluoride - Vinyl chloride - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organofluoride - Organochloride - Organoboron compound - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups. |
| External Descriptors | Not available |
| Molecular Weight | 242.360 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 1 |
| Exact Mass | 241.993 Da |
| Monoisotopic Mass | 241.993 Da |
| Topological Polar Surface Area | 40.500 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 226.000 |
| 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 |
