≥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.
| Canonical Smiles | C1C2=C(C(=CC(=C2)C=O)CCl)OCO1 |
|---|---|
| IUPAC Name | 8-(chloromethyl)-4H-1,3-benzodioxine-6-carbaldehyde |
| InChIKey | KKYGPQSGLFFAGI-UHFFFAOYSA-N |
| INCHI | 1S/C10H9ClO3/c11-3-8-1-7(4-12)2-9-5-13-6-14-10(8)9/h1-2,4H,3,5-6H2 |
| Isomeric SMILES | C1C2=C(C(=CC(=C2)C=O)CCl)OCO1 |
| Alternate CAS | 1437312-03-2 |
| PubChem CID | 71668970 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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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 | Aryl-aldehydes Benzenoids Oxacyclic compounds Acetals Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzo-1,3-dioxane - Aryl-aldehyde - Benzenoid - Oxacycle - Acetal - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aldehyde - 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 | 212.630 g/mol |
|---|---|
| XLogP3 | 1.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 212.024 Da |
| Monoisotopic Mass | 212.024 Da |
| Topological Polar Surface Area | 35.500 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 210.000 |
| 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 |
