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2-bromo-2-(4-chlorophenyl)-1H-indene-1,3(2H)-dione , CAS No.730-73-4
Disponible para pedir
Storage
Room temperature
Shipped In
Normal
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Why this grade
for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Room temperature Ships Normal 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
Condiciones de almacenamiento de almacenamiento
Room temperature
Enviado en
Normal
Nombres e identificadores
| Sonrisas canónicas | C1=CC=C2C(=C1)C(=O)C(C2=O)(C3=CC=C(C=C3)Cl)Br |
|---|---|
| IUPAC Name | 2-bromo-2-(4-chlorophenyl)indene-1,3-dione |
| InChIKey | XQPKEDHGRZYRNU-UHFFFAOYSA-N |
| INCHI | 1S/C15H8BrClO2/c16-15(9-5-7-10(17)8-6-9)13(18)11-3-1-2-4-12(11)14(15)19/h1-8H |
| Isómeros SMILES | C1=CC=C2C(=C1)C(=O)C(C2=O)(C3=CC=C(C=C3)Cl)Br |
| CAS alternativo | 730-73-4 |
| PubChem CID | 320300 |
| Número NSC | 267314 |
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 Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Indanes |
| Subclass | Indanones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indanediones |
| Alternative Parents | Aryl alkyl ketones Chlorobenzenes Aryl chlorides Alpha-haloketones Organochlorides Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | Indanedione - Aryl ketone - Aryl alkyl ketone - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Alpha-haloketone - Ketone - Organobromide - Organohalogen compound - Organic oxide - Organic oxygen compound - Alkyl halide - Alkyl bromide - Organochloride - Organooxygen compound - Hydrocarbon derivative - Aromatic homopolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as indanediones. These are compounds containing an indane ring bearing two ketone groups. |
| 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 | 335.580 g/mol |
|---|---|
| XLogP3 | 4.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 333.94 Da |
| Monoisotopic Mass | 333.94 Da |
| Topological Polar Surface Area | 34.100 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 377.000 |
| 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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