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 | C1=CC=C(C=C1)C2=NC(=NC(=N2)Cl)C3=CC4=C(C=C3)C5=CC=CC=C5O4 |
|---|---|
| IUPAC Name | 2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine |
| InChIKey | MPIJGSAWPMMKMU-UHFFFAOYSA-N |
| INCHI | 1S/C21H12ClN3O/c22-21-24-19(13-6-2-1-3-7-13)23-20(25-21)14-10-11-16-15-8-4-5-9-17(15)26-18(16)12-14/h1-12H |
| Isomeric SMILES | C1=CC=C(C=C1)C2=NC(=NC(=N2)Cl)C3=CC4=C(C=C3)C5=CC=CC=C5O4 |
| Molecular Weight | 357.79 |
| Reaxy-Rn | 32549073 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=32549073&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 | Benzofurans |
| Subclass | Dibenzofurans |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Dibenzofurans |
| Alternative Parents | Chloro-s-triazines Benzene and substituted derivatives Aryl chlorides Heteroaromatic compounds Furans Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Dibenzofuran - Chloro-s-triazine - Halo-s-triazine - 1,3,5-triazine - Benzenoid - Triazine - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Heteroaromatic compound - Furan - Oxacycle - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as dibenzofurans. These are compounds containing a dibenzofuran moiety, which consists of two benzene rings fused to a central furan ring. |
| External Descriptors | Not available |
| Solubility | Insoluble |
|---|---|
| Boil Point(°C) | 613.2±47.0 °C |
| Molecular Weight | 357.800 g/mol |
| XLogP3 | 6.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 357.067 Da |
| Monoisotopic Mass | 357.067 Da |
| Topological Polar Surface Area | 51.800 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 486.000 |
| 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 |
