≥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.
| Canonical Smiles | C1=CC=C(C=C1)C2=CC3=C(C=C2)C(=NO3)N |
|---|---|
| IUPAC Name | 6-phenyl-1,2-benzoxazol-3-amine |
| InChIKey | IIDSHOVHFQFLOR-UHFFFAOYSA-N |
| INCHI | 1S/C13H10N2O/c14-13-11-7-6-10(8-12(11)16-15-13)9-4-2-1-3-5-9/h1-8H,(H2,14,15) |
| Isomeric SMILES | C1=CC=C(C=C1)C2=CC3=C(C=C2)C(=NO3)N |
| PubChem CID | 9837209 |
| Molecular Weight | 210.23 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Benzisoxazoles |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzisoxazoles |
| Alternative Parents | Imidolactams Benzene and substituted derivatives Isoxazoles Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Primary amines Organooxygen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzisoxazole - Monocyclic benzene moiety - Benzenoid - Imidolactam - Azole - Heteroaromatic compound - Isoxazole - Oxacycle - Azacycle - Organooxygen compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Primary amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzisoxazoles. These are aromatic compounds containing a benzene ring fused to an isoxazole ring. Isoxazole is five-membered ring with three carbon atoms, and an oxygen atom next to a nitrogen atom. |
| External Descriptors | Not available |
| Molecular Weight | 210.230 g/mol |
|---|---|
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 210.079 Da |
| Monoisotopic Mass | 210.079 Da |
| Topological Polar Surface Area | 52.100 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 240.000 |
| 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 |
![6-Phenylbenzo[d]isoxazol-3-amine - ≥98% CAS No(268734-42-5) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/P/1/P192440.png)