Lot numbers can be found on the outside label of a product:
1,2,4,5-Tetraethynylbenzene
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CAS No. 70603-31-5
- Cat. No. CS-0110362
- Purity≥98%
- MDL No.MFCD30533936
*For research and further manufacturing use only, not for direct human use.
Structure of 70603-31-5
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General Information
- CAS No. 70603-31-5
- Cat. No. CS-0110362
- Purity ≥98%
- MDL No. MFCD30533936
- Storage -20°C, protect from light, stored under nitrogen
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₄H₆
- Molecular Weight None
- Synonym(s) None
- SMILES C#CC1=C(C=C(C(C#C)=C1)C#C)C#C
Description
1,2,4,5-Tetraethynylbenzene is a highly conjugated aromatic scaffold featuring four terminal alkyne groups at strategic positions on the benzene ring. This geometry enables efficient metal-catalyzed coupling reactions, facilitating the construction of complex 2D and 3D molecular architectures. The molecule's rigidity and electron-rich character support applications in materials science and supramolecular chemistry.
Application
1,2,4,5-Tetraethynylbenzene serves as a versatile tetraynyl building block for constructing extended π-conjugated systems and rigid molecular scaffolds. Its four terminal alkyne groups enable efficient copper-catalyzed [2+2] or Glaser-type coupling reactions, facilitating the synthesis of high-molecular-weight polyynes and porous organic frameworks. The compound exhibits excellent bench stability and compatibility with standard purification techniques, making it well-suited for iterative cross-coupling protocols in materials science and synthetic organic chemistry applications.
Synthesis
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Route1
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98127-35-6 - ~90%
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In-stock
70603-31-5
References
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Garcia, Fatima; Fernandez, Gustavo; Sanchez, Luis Chemistry - A European Journal, 2009 , vol. 15, # 27 p. 6740 - 6747
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Route2
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In-stock
636-31-7 - ~%
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In-stock
70603-31-5
References
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Berries,B.C.; Hovakeemian,G.H.; Lai,Y.H. Journal of the American Chemical Society, 1985 , vol. 107, p. 5670
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Route3
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70603-26-8
- ~%
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In-stock
70603-31-5
References
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Moroz,A.A. et al. Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation), 1979 , vol. 28, p. 795 - 798 Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, 1979 , vol. 28, # 4 p. 851 - 855
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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 : H317-H320-H402
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Precautionary Statements : P261-P264-P272-P273-P280-P302+P352-P501
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Quality Control
Computational Chemistry Data
- TPSA 0
- LogP 1.6118
- H_Acceptors 0
- H_Donors 0
- Rotatable_Bonds 0
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Key Words
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