≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 | C1C2=C(C(=CC(=C2)F)CN)OCO1.Cl |
|---|---|
| IUPAC Name | (6-fluoro-4H-1,3-benzodioxin-8-yl)methanamine;hydrochloride |
| InChIKey | FBHYQVQESWEYTE-UHFFFAOYSA-N |
| INCHI | 1S/C9H10FNO2.ClH/c10-8-1-6(3-11)9-7(2-8)4-12-5-13-9;/h1-2H,3-5,11H2;1H |
| Isomeric SMILES | C1C2=C(C(=CC(=C2)F)CN)OCO1.Cl |
| Alternate CAS | 859833-12-8 |
| PubChem CID | 18525698 |
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 | Benzodioxanes |
| Subclass | Benzo-1,3-dioxanes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzo-1,3-dioxanes |
| Alternative Parents | Aralkylamines Benzenoids Aryl fluorides Oxacyclic compounds Acetals Organopnictogen compounds Organofluorides Monoalkylamines Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzo-1,3-dioxane - Aralkylamine - Aryl fluoride - Aryl halide - Benzenoid - Acetal - Oxacycle - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Primary aliphatic amine - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrochloride - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzo-1,3-dioxanes. These are heterocyclic compounds containing a benzene ring fused to a 1,3-dioxane ring. |
| External Descriptors | Not available |
| Molecular Weight | 219.640 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 219.046 Da |
| Monoisotopic Mass | 219.046 Da |
| Topological Polar Surface Area | 44.500 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 179.000 |
| 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 | 2 |
