≥97% 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-]1(N2C(=C(C(=C2C(=C3[N+]1=C(C(=C3C)CCCC)C)C)C)CCCC)C)(F)F |
|---|---|
| IUPAC Name | 5,11-dibutyl-2,2-difluoro-4,6,8,10,12-pentamethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene |
| InChIKey | XWUUMDJCWNZHAZ-UHFFFAOYSA-N |
| INCHI | 1S/C22H33BF2N2/c1-8-10-12-19-14(3)21-16(5)22-15(4)20(13-11-9-2)18(7)27(22)23(24,25)26(21)17(19)6/h8-13H2,1-7H3 |
| Isomeric SMILES | [B-]1(N2C(=C(C(=C2C(=C3[N+]1=C(C(=C3C)CCCC)C)C)C)CCCC)C)(F)F |
| Molecular Weight | 374.33 |
| Reaxy-Rn | 9592054 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9592054&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 | Organoheterocyclic compounds |
| Class | Pyrroles |
| Subclass | Substituted pyrroles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Substituted pyrroles |
| Alternative Parents | Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic metalloid salts Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives Organic cations |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Substituted pyrrole - Heteroaromatic compound - Azacycle - Organic metalloid salt - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic salt - Organonitrogen compound - Organic cation - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as substituted pyrroles. These are heterocyclic compounds containing a pyrrole ring substituted at one or more positions. |
| External Descriptors | Not available |
| Melt Point(°C) | 186 °C |
|---|---|
| Molecular Weight | 374.300 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 6 |
| Exact Mass | 374.27 Da |
| Monoisotopic Mass | 374.27 Da |
| Topological Polar Surface Area | 7.900 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 654.000 |
| 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 |
