Determine the necessary mass, volume, or concentration for preparing a solution.
≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C,Argon charged Ships Ice chest + Ice pads 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(CC(O1)(C)C)C)C(=C)C(F)(F)F |
|---|---|
| IUPAC Name | 4,4,6-trimethyl-2-(3,3,3-trifluoroprop-1-en-2-yl)-1,3,2-dioxaborinane |
| InChIKey | GGSSZVWESZQFOZ-UHFFFAOYSA-N |
| INCHI | 1S/C9H14BF3O2/c1-6-5-8(3,4)15-10(14-6)7(2)9(11,12)13/h6H,2,5H2,1,3-4H3 |
| Isomeric SMILES | B1(OC(CC(O1)(C)C)C)C(=C)C(F)(F)F |
| PubChem CID | 16414270 |
| Molecular Weight | 222.01 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Boronic acid derivatives |
| Subclass | Boronic acid esters |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Boronic acid esters |
| Alternative Parents | Oxacyclic compounds Organic metalloid salts Organooxygen compounds Organofluorides Organoboron compounds Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Boronic acid ester - Oxacycle - Organic metalloid salt - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organooxygen compound - Organofluoride - Organoboron compound - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as boronic acid esters. These are compounds comprising the boronic acid ester functional group RN(X)OR' (R,R'=alkyl, aryl; X= any O, N, Hal residue). |
| 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 |
|---|---|---|---|
| Certificate of Analysis | Jan 17, 2025 | T290795 | |
| Certificate of Analysis | Jan 17, 2025 | T290795 | |
| Certificate of Analysis | Jan 17, 2025 | T290795 | |
| Certificate of Analysis | Jan 17, 2025 | T290795 | |
| Certificate of Analysis | Jan 17, 2025 | T290795 | |
| Certificate of Analysis | Jan 17, 2025 | T290795 |
| Molecular Weight | 222.010 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 222.104 Da |
| Monoisotopic Mass | 222.104 Da |
| Topological Polar Surface Area | 18.500 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 263.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |