Determine the necessary mass, volume, or concentration for preparing a solution.
≥95% 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 | 504769076 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504769076 |
| Sonrisas canónicas | C1=COC(=C1)C=CC2=NC(=NC(=N2)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl |
| IUPAC Name | 2-[(E)-2-(furan-2-yl)ethenyl]-4,6-bis(trichloromethyl)-1,3,5-triazine |
| InChIKey | PNDRGJCVJPHPOZ-ONEGZZNKSA-N |
| INCHI | 1S/C11H5Cl6N3O/c12-10(13,14)8-18-7(4-3-6-2-1-5-21-6)19-9(20-8)11(15,16)17/h1-5H/b4-3+ |
| Isómeros SMILES | C1=COC(=C1)/C=C/C2=NC(=NC(=N2)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl |
| Peso molecular | 407.88 |
| Reaxy-Rn | 38114172 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=38114172&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 |
| Clase | Triazines |
| Subclass | 1,3,5-triazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 1,3,5-triazines |
| Alternative Parents | Heteroaromatic compounds Furans Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives Alkyl chlorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 1,3,5-triazine - Heteroaromatic compound - Furan - Oxacycle - Azacycle - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as 1,3,5-triazines. These are compounds containing a triazine ring, which is a heterocyclic ring, similar to the six-member benzene ring but with three carbons replaced by nitrogen atoms, at ring positions 1, 3, and 5. |
| External Descriptors | Not available |
| Sensibilidad | Light Sensitive |
|---|---|
| Punto de fusión (°C) | 142 °C |
| Peso molecular | 407.900 g/mol |
| XLogP3 | 4.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 406.853 Da |
| Monoisotopic Mass | 404.856 Da |
| Topological Polar Surface Area | 51.800 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 361.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |