0.5M in hexanes 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.
Description
Reactant for:Preparation of a dialkylborenium ion stabilized by an N-heterocyclic carbeneMukaiyama aldol additionPreparation of porphyrin dimethyldioxanyl tolyl derivative complexPreparation of palladium porphyrin complexesBoron-mediated β-alkoxy Me ketone aldol addition reactionsEnolization agent
| カノニカル・スマイル | B1(C2CCCC1CCC2)OS(=O)(=O)C(F)(F)F |
|---|---|
| IUPAC Name | 9-borabicyclo[3.3.1]nonan-9-yl trifluoromethanesulfonate |
| InChIKey | NXHUKDCGEGEZCX-UHFFFAOYSA-N |
| INCHI | 1S/C9H14BF3O3S/c11-9(12,13)17(14,15)16-10-7-3-1-4-8(10)6-2-5-7/h7-8H,1-6H2 |
| 異性体SMILES | B1(C2CCCC1CCC2)OS(=O)(=O)C(F)(F)F |
| WGKドイツ | 3 |
| 分子量 | 270.08 |
| Beilstein | 995656 |
| Reaxy-Rn | 995656 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=995656&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 | Organic acids and derivatives |
| 分類 | Organic sulfonic acids and derivatives |
| Subclass | Organosulfonic acids and derivatives |
| Intermediate Tree Nodes | Alkanesulfonic acids and derivatives - Alkanesulfonic acids |
| Direct Parent | Trifluoromethanesulfonates |
| Alternative Parents | Borinanes Sulfonyls Methanesulfonates Trihalomethanes Organic metalloid salts Dialkylboranes Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Substituents | Trifluoromethanesulfonate - Borinane - Methanesulfonate - Sulfonyl - Trihalomethane - Dialkylborane - Organoheterocyclic compound - Organic metalloid salt - Alkyl fluoride - Hydrocarbon derivative - Halomethane - Organic oxide - Organosulfur compound - Organofluoride - Organic metalloid moeity - Organohalogen compound - Alkylborane - Organic oxygen compound - Alkyl halide - Aliphatic heteropolycyclic compound |
| 説明 | This compound belongs to the class of organic compounds known as trifluoromethanesulfonates. These are alkanesulfonic acids, that contain a sulfonate group that is substituted with a trifluoromethyl group. |
| External Descriptors | Not available |
| 引火点（°F） | -7.6 °F |
|---|---|
| 引火点（°C） | -22 °C |
| 分子量 | 270.080 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Exact Mass | 270.071 Da |
| Monoisotopic Mass | 270.071 Da |
| Topological Polar Surface Area | 51.800 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 354.000 |
| 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 |
