≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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.
Description
5-Phenyl-1,2,3-triazine is a phenyl triazine derivative. 5-phenyl-1,2,3-triazine exhibits electronic and nonlinear optical properties. 5-Phenyl-1,2,3-triazine can be prepared from 4-bromopyrazole. It undergoes Diels-Alder reaction with ketene acetal.The following 1,2,3-triazine was reported by Boger and coworkers to undergo an Inverse Electron Demand Diels-Alder with electron rich dienophiles to afford nitrogen-containing heterocycles, more specifically pyrimidines and novel-substituted pyridines.
| Canonical Smiles | C1=CC=C(C=C1)C2=CN=NN=C2 |
|---|---|
| IUPAC Name | 5-phenyltriazine |
| InChIKey | KJZQIXWSZPPOHO-UHFFFAOYSA-N |
| INCHI | 1S/C9H7N3/c1-2-4-8(5-3-1)9-6-10-12-11-7-9/h1-7H |
| Isomeric SMILES | C1=CC=C(C=C1)C2=CN=NN=C2 |
| PubChem CID | 14967435 |
| Molecular Weight | 157.17 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Triazines |
| Subclass | 1,2,3-triazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 1,2,3-triazines |
| Alternative Parents | Benzene and substituted derivatives Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 1,2,3-triazine - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as 1,2,3-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, 2, and 3. |
| External Descriptors | Not available |
| Molecular Weight | 157.170 g/mol |
|---|---|
| XLogP3 | 0.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 157.064 Da |
| Monoisotopic Mass | 157.064 Da |
| Topological Polar Surface Area | 38.700 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 126.000 |
| 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 |
