≥96% 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=C1C)C(F)(F)F)Cl)(O)O |
|---|---|
| IUPAC Name | [5-chloro-2-methyl-4-(trifluoromethyl)phenyl]boronic acid |
| InChIKey | WIXOOBHBVKOORA-UHFFFAOYSA-N |
| INCHI | 1S/C8H7BClF3O2/c1-4-2-5(8(11,12)13)7(10)3-6(4)9(14)15/h2-3,14-15H,1H3 |
| Isomeric SMILES | B(C1=CC(=C(C=C1C)C(F)(F)F)Cl)(O)O |
| PubChem CID | 46738894 |
| Molecular Weight | 238.4 |
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 | Toluenes Chlorobenzenes Aryl chlorides Boronic acids Organic metalloid salts Organometalloid compounds Organofluorides Organochlorides Organic oxygen compounds Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Trifluoromethylbenzene - Chlorobenzene - Halobenzene - Toluene - Aryl chloride - Aryl halide - Boronic acid - Boronic acid derivative - Organic metalloid salt - Organochloride - Organic metalloid moeity - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Organofluoride - 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 | 238.400 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 238.018 Da |
| Monoisotopic Mass | 238.018 Da |
| Topological Polar Surface Area | 40.500 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 224.000 |
| 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 |
