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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 | 504764836 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504764836 |
| Canonical Smiles | C1=CC=C2C(=C1)C3=NC4=C5C=CC=CC5=C6N4[Sn](N7C(=NC2=N3)C8=CC=CC=C8C7=NC9=NC(=N6)C1=CC=CC=C19)(Cl)Cl |
| IUPAC Name | 38,38-dichloro-9,18,27,36,37,39,40,41-octaza-38-stannadecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1,3,5,7,9,11,13,15,17(41),18,20,22,24,26,28(40),29,31,33,35-nonadecaene |
| InChIKey | BBRNKSXHHJRNHK-UHFFFAOYSA-L |
| INCHI | 1S/C32H16N8.2ClH.Sn/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;;;/h1-16H;2*1H;/q-2;;;+4/p-2 |
| Isomeric SMILES | C1=CC=C2C(=C1)C3=NC4=C5C=CC=CC5=C6N4[Sn](N7C(=NC2=N3)C8=CC=CC=C8C7=NC9=NC(=N6)C1=CC=CC=C19)(Cl)Cl |
| PubChem CID | 9580361 |
| Molecular Weight | 702.34 |
| Reaxy-Rn | 1097765 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Isoindoles and derivatives |
| Subclass | Isoindoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Isoindoles |
| Alternative Parents | Imidolactams Benzenoids Pyrroles Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Metalloheterocyclic compounds Azacyclic compounds Organonitrogen compounds Organic tin salts Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Isoindole - Imidolactam - Benzenoid - Heteroaromatic compound - Pyrrole - Azacycle - Organic metal salt - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Metalloheterocycle - Organic nitrogen compound - Hydrocarbon derivative - Organic tin salt - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as isoindoles. These are heteropolycyclic compounds with a structure containing isoindole, a benzo-fused pyrrole. |
| 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 | Mar 20, 2026 | T121599 | |
| Certificate of Analysis | Sep 16, 2025 | T121599 | |
| Certificate of Analysis | Sep 01, 2025 | T121599 | |
| Certificate of Analysis | Jun 14, 2024 | T121599 | |
| Certificate of Analysis | Jun 14, 2022 | T121599 |
| Solubility | Insoluble in water |
|---|---|
| Sensitivity | Moisture Sensitive |
| Molecular Weight | 702.100 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 701.99 Da |
| Monoisotopic Mass | 701.99 Da |
| Topological Polar Surface Area | 82.300 Ų |
| Heavy Atom Count | 43 |
| Formal Charge | 0 |
| Complexity | 1240.000 |
| 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 |