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1-Chloro-1，3-dihydro-3，3-dimethyl-1，2-benziodoxole - ≥95% , CAS No.69352-04-1
Disponible para pedir
GRADE & PURITY ≥95%
Storage
Room temperature
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Why this grade
≥95% 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
≥95%
Condiciones de almacenamiento de almacenamiento
Room temperature
Pureza
≥95%
Nombres e identificadores
| Sonrisas canónicas | CC1(C2=CC=CC=C2I(O1)Cl)C |
|---|---|
| IUPAC Name | 1-chloro-3,3-dimethyl-1λ3,2-benziodoxole |
| InChIKey | HEBYOYIIQNKPGQ-UHFFFAOYSA-N |
| INCHI | 1S/C9H10ClIO/c1-9(2)7-5-3-4-6-8(7)11(10)12-9/h3-6H,1-2H3 |
| Isómeros SMILES | CC1(C2=CC=CC=C2I(O1)Cl)C |
| PubChem CID | 12494637 |
| Peso molecular | 296.54 |
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 Organohalogen compounds
- Clase Aryl halides
- Subclass Aryl iodides
- Clase Aryl halides
- Superclass Organohalogen compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organohalogen compounds |
| Clase | Aryl halides |
| Subclass | Aryl iodides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aryl iodides |
| Alternative Parents | Benzenoids Oxacyclic compounds Organooxygen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzenoid - Aryl iodide - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as aryl iodides. These are organic compounds containing the acyl iodide functional group. |
| 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
| Punto de fusión (°C) | 148-150°(d |
|---|---|
| Peso molecular | 296.530 g/mol |
| XLogP3 | 3.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 295.946 Da |
| Monoisotopic Mass | 295.946 Da |
| Topological Polar Surface Area | 9.200 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 183.000 |
| 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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