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1,3-Benzodioxole-5-carboxaldehyde, 4-bromo- - ≥98% , CAS No.56008-63-0
Disponible para pedir
GRADE & PURITY ≥98%
Storage
Room temperature
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Why this grade
≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Room temperature Ships Check lot-specific COA for exact specifications.
Quality documents
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Literature proof
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications
Especificaciones y pureza
≥98%
Condiciones de almacenamiento de almacenamiento
Room temperature
Pureza
≥98%
Nombres e identificadores
| Sonrisas canónicas | C1OC2=C(O1)C(=C(C=C2)C=O)Br |
|---|---|
| IUPAC Name | 4-bromo-1,3-benzodioxole-5-carbaldehyde |
| InChIKey | QBVZVVIMRXNRKU-UHFFFAOYSA-N |
| INCHI | 1S/C8H5BrO3/c9-7-5(3-10)1-2-6-8(7)12-4-11-6/h1-3H,4H2 |
| Isómeros SMILES | C1OC2=C(O1)C(=C(C=C2)C=O)Br |
| CAS alternativo | 56008-63-0 |
| PubChem CID | 11601059 |
Documentation
📋 Safety Data Sheet (SDS)
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →✅ Certificate of Analysis (COA)
Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →🔬 Specification Sheet
Full quality attributes and acceptance criteria for this grade.
View spec sheet →Advanced Data
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
- Clase Benzodioxoles
- Superclass Organoheterocyclic compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Benzodioxoles |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzodioxoles |
| Alternative Parents | Aryl-aldehydes Benzenoids Aryl bromides Vinylogous halides Oxacyclic compounds Acetals Organobromides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzodioxole - Aryl-aldehyde - Aryl bromide - Aryl halide - Benzenoid - Vinylogous halide - Acetal - Oxacycle - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Aldehyde - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms. |
| External Descriptors | Not available |
Estructura 3D
Modelo de Estructura Química Interactiva
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
| Peso molecular | 229.030 g/mol |
|---|---|
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 227.942 Da |
| Monoisotopic Mass | 227.942 Da |
| Topological Polar Surface Area | 35.500 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 185.000 |
| 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 |
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