Lot numbers can be found on the outside label of a product:
5,6-Dichlorobenzo[d][1,3]dioxole
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CAS No. 6120-31-6
- Cat. No. CS-0157820
- Purity≥97%
- MDL No.MFCD06656540
*For research and further manufacturing use only, not for direct human use.
![5,6-Dichlorobenzo[d][1,3]dioxole|CS-0157820](https://file.chemscene.com/productPIC/CS-0157820.gif)
Structure of 6120-31-6
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General Information
- CAS No. 6120-31-6
- Cat. No. CS-0157820
- Purity ≥97%
- MDL No. MFCD06656540
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₇H₄Cl₂O₂
- Molecular Weight 191.01
- Synonym(s) 5,6-DICHLOROBENZO(1,3)DIOXOLE
- SMILES C1=C(C(=CC2=C1OCO2)Cl)Cl
Description
5,6-Dichlorobenzo[d][1,3]dioxole features a rigid, electron-deficient dioxole core flanked by chlorine substituents at the 5- and 6-positions. This structural motif imparts enhanced stability and facilitates selective coupling in transition metal-catalyzed reactions. The molecule serves as a key building block in the synthesis of advanced functional materials and bioactive heterocycles.
Application
5,6-Dichlorobenzo[d][1,3]dioxole serves as a versatile heterocyclic building block in medicinal chemistry and materials science. Its rigid, electron-deficient core facilitates coupling reactions with boronic acids and stannanes via palladium-catalyzed cross-coupling protocols. The dichloro substituents enable further functionalization through nucleophilic aromatic substitution, offering orthogonal access to diverse analogs. Bench-stable and readily purified by flash chromatography, it functions effectively in the synthesis of complex pharmaceutical scaffolds and optoelectronic intermediates.
Synthesis
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Route1
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274-09-9 - ~0%
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In-stock
7228-38-8 -
In-stock
6120-31-6
References
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UBE INDUSTRIES, LTD. Patent: WO2007/20964 A1, 2007 ; Location in patent: Page/Page column 10-11 ;
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Route2
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274-09-9
- ~%
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In-stock
6120-31-6
References
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Journal of the Chemical Society, , vol. 111, p. 948
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Route3
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120-57-0
- ~%
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In-stock
6120-31-6
References
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Journal of the Chemical Society, , vol. 111, p. 948
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS07
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Signal Word : Warning
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : H302-H315-H319-H335
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Precautionary Statements : P261-P280-P302+P352
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Quality Control
Computational Chemistry Data
- TPSA 18.46
- LogP 2.7221
- H_Acceptors 2
- H_Donors 0
- Rotatable_Bonds 0
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Key Words
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