Lot numbers can be found on the outside label of a product:
1,2,3,4-Tetramethylbenzene
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CAS No. 488-23-3
- Cat. No. CS-W006416
- Purity≥96%
- MDL No.MFCD00008521
*For research and further manufacturing use only, not for direct human use.
Structure of 488-23-3
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General Information
- CAS No. 488-23-3
- Cat. No. CS-W006416
- Purity ≥96%
- MDL No. MFCD00008521
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₀H₁₄
- Molecular Weight 134.22
- Synonym(s) None
- SMILES CC1=CC=C(C)C(C)=C1C
Description
1,2,3,4-Tetramethylbenzene is a highly symmetric, electron-rich aromatic hydrocarbon featuring four methyl groups in close proximity on the benzene ring. This substitution pattern imparts enhanced steric shielding and improved thermal stability compared to less substituted analogs. The molecule exhibits excellent solubility in common organic solvents and serves as a valuable reference standard in mass spectrometry and NMR spectroscopy due to its well-defined, predictable spectral signature.
Application
1,2,3,4-Tetramethylbenzene serves as a valuable synthetic building block in organic chemistry, offering enhanced steric bulk and electronic stabilization due to its four methyl substituents. Its high thermal stability and low reactivity toward electrophilic aromatic substitution enable selective functionalization at less hindered positions. The compound facilitates the construction of complex polycyclic architectures and functions as a scaffold in materials science and medicinal chemistry applications requiring defined molecular rigidity and lipophilicity.
Synthesis
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Route1
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503-17-3 - ~54%
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In-stock
488-23-3
References
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Xi, Zhenfeng; Sato, Kimihiko; Gao, Ye; Lu, Jianming; Takahashi, Tamotsu Journal of the American Chemical Society, 2003 , vol. 125, # 32 p. 9568 - 9569
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Route2
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95-93-2
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In-stock
527-53-7 - ~%
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In-stock
488-23-3
References
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Birch et al. Journal of the American Chemical Society, 1949 , vol. 71, p. 1362,1366 Full Text Show Details Smith; Cass Journal of the American Chemical Society, 1932 , vol. 54, p. 1609,1611 Full Text Show Details Smith Org. Reactions, 1942 , vol. 1, p. 370,382 Full Text Show Details Moyle; Smith Journal of Organic Chemistry, 1937 , vol. 2, p. 112,116, 132
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Route3
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95-93-2
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75-36-5
- ~2%
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In-stock
488-23-3
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In-stock
527-53-7
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2142-79-2
References
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Andreou et al. Tetrahedron, 1980 , vol. 36, p. 2101
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS02
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Signal Word : Danger
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UN#: 1993
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Class : 3
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Packing Group : Ⅱ
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Hazard Statements : H225
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Precautionary Statements : P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501
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Quality Control
Computational Chemistry Data
- TPSA 0
- LogP 2.92028
- H_Acceptors 0
- H_Donors 0
- Rotatable_Bonds 0
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Key Words
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