Determine the necessary mass, volume, or concentration for preparing a solution.
≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 | B1(OC(C(O1)(C)C)(C)C)C2=C(C(=C(C(=C2F)B3OC(C(O3)(C)C)(C)C)F)B4OC(C(O4)(C)C)(C)C)F |
|---|---|
| IUPAC Name | 4,4,5,5-tetramethyl-2-[2,4,6-trifluoro-3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane |
| InChIKey | GPMPPJKUOMDMAS-UHFFFAOYSA-N |
| INCHI | 1S/C24H36B3F3O6/c1-19(2)20(3,4)32-25(31-19)13-16(28)14(26-33-21(5,6)22(7,8)34-26)18(30)15(17(13)29)27-35-23(9,10)24(11,12)36-27/h1-12H3 |
| Isomeric SMILES | B1(OC(C(O1)(C)C)(C)C)C2=C(C(=C(C(=C2F)B3OC(C(O3)(C)C)(C)C)F)B4OC(C(O4)(C)C)(C)C)F |
| PubChem CID | 20775192 |
| Molecular Weight | 510 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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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 | Aryl fluorides Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Organooxygen compounds Organometalloid compounds Organofluorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Fluorobenzene - Aryl fluoride - Aryl halide - Boronic acid ester - 1,3,2-dioxaborolane - Boronic acid derivative - Oxacycle - Organic metalloid salt - Organoheterocyclic compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organic metalloid moeity - Organofluoride - Aromatic heteromonocyclic 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 | 510.000 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 3 |
| Exact Mass | 510.274 Da |
| Monoisotopic Mass | 510.274 Da |
| Topological Polar Surface Area | 55.400 Ų |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Complexity | 695.000 |
| 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 |