Lot numbers can be found on the outside label of a product:
Dibenzo-p-dioxin
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CAS No. 262-12-4
- Cat. No. CS-0146165
- Purity≥98%
- MDL No.MFCD00022282
*For research and further manufacturing use only, not for direct human use.
Structure of 262-12-4
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General Information
- CAS No. 262-12-4
- Cat. No. CS-0146165
- Purity ≥98%
- MDL No. MFCD00022282
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₂H₈O₂
- Molecular Weight 184.19
- Synonym(s) None
- SMILES C1(OC2=C(C=CC=C2)O3)=C3C=CC=C1
Description
Dibenzo[b,e][1,4]dioxin features a rigid, planar polycyclic structure with two oxygen-bridged benzene rings, conferring high thermal stability and low solubility in aqueous media. This fused architecture imparts strong electron delocalization, making it a valuable scaffold in materials science and as a reference compound in environmental monitoring due to its structural persistence.
Application
Dibenzo[b,e][1,4]dioxin serves as a stable, rigid bicyclic scaffold in medicinal chemistry and materials science. Its fused aromatic system exhibits excellent bench stability and tolerates a range of functional groups, enabling its use in constructing bioactive heterocycles and advanced organic semiconductors. The core structure facilitates selective derivatization at the 2-, 3-, 6-, and 7-positions via standard coupling reactions, offering predictable regioselectivity for modular synthesis.
Synthesis
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Route1
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120-80-9 -
528-29-0
- ~40%
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In-stock
262-12-4
References
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SPINIFEX PHARMACEUTICALS PTY LTD; MCCARTHY, Thomas David; NAYLOR, Alan Patent: WO2013/110135 A1, 2013 ; Location in patent: Page/Page column 55 ;
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Route2
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33857-26-0
- ~93%
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In-stock
262-12-4
References
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Ukisu, Yuji; Miyadera, Tatsuo Chemosphere, 2002 , vol. 46, # 4 p. 507 - 510
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Route3
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In-stock
615-42-9 -
120-80-9
- ~17%
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In-stock
262-12-4
References
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Zhou, Qizhong; Su, Liangjun; Jiang, Tiansheng; Zhang, Bin; Chen, Rener; Jiang, Huajiang; Ye, Yuyuan; Zhu, Mengqing; Han, Deman; Shen, Jianfen; Dai, Guoliang; Li, Zhanting Tetrahedron, 2014 , vol. 70, # 6 p. 1125 - 1132
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS07,GHS09
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Signal Word : Warning
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UN#: 3077
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Class : 9
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Packing Group : Ⅲ
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Hazard Statements : H302-H411
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Precautionary Statements : P264-P270-P273-P330-P391-P501
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Quality Control
Computational Chemistry Data
- TPSA 18.46
- LogP 3.5846
- H_Acceptors 2
- H_Donors 0
- Rotatable_Bonds 0
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