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 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.
| Pubchem Sid | 504769443 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504769443 |
| Canonical Smiles | [B-]1(N2C=CC=C2C(=C3[N+]1=CC=C3)SC)(F)F |
| IUPAC Name | 2,2-difluoro-8-methylsulfanyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene |
| InChIKey | OSUYHKLOJHHXAI-UHFFFAOYSA-N |
| INCHI | 1S/C10H9BF2N2S/c1-16-10-8-4-2-6-14(8)11(12,13)15-7-3-5-9(10)15/h2-7H,1H3 |
| Isomeric SMILES | [B-]1(N2C=CC=C2C(=C3[N+]1=CC=C3)SC)(F)F |
| Molecular Weight | 238.06 |
| Reaxy-Rn | 11138373 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11138373&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 | Heteroaromatic compounds |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Heteroaromatic compounds |
| Alternative Parents | Pyrroles Thioenol ethers Sulfenyl 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 | Heteroaromatic compound - Pyrrole - Thioenolether - Azacycle - Organic metalloid salt - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Organic nitrogen compound - Hydrocarbon derivative - Organic salt - Organosulfur compound - Organonitrogen compound - Organic cation - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as heteroaromatic compounds. These are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom. |
| 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 | Apr 01, 2024 | M158318 | |
| Certificate of Analysis | Apr 01, 2024 | M158318 | |
| Certificate of Analysis | Apr 01, 2024 | M158318 | |
| Certificate of Analysis | Apr 01, 2024 | M158318 | |
| Certificate of Analysis | Apr 01, 2024 | M158318 | |
| Certificate of Analysis | Apr 01, 2024 | M158318 |
| Sensitivity | Light Sensitive |
|---|---|
| Melt Point(°C) | 110 °C |
| Molecular Weight | 238.070 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 238.055 Da |
| Monoisotopic Mass | 238.055 Da |
| Topological Polar Surface Area | 33.200 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 398.000 |
| 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 |