Lot numbers can be found on the outside label of a product:
Toluquinone
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CAS No. 553-97-9
- Cat. No. CS-W011196
- Purity≥97%
- MDL No.MFCD00001603
*For research and further manufacturing use only, not for direct human use.
Structure of 553-97-9
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General Information
- CAS No. 553-97-9
- Cat. No. CS-W011196
- Purity ≥97%
- MDL No. MFCD00001603
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₇H₆O₂
- Molecular Weight 122.12
- Synonym(s) None
- SMILES CC1=CC(C=CC1=O)=O
Description
Methyl-p-benzoquinone (MBQ) can be used as a coating that forms an interface between the electrode and lithium (Li) electrolyte for the fabrication of redox flow batteries. It can be reduced during positive electrospray ionization mass spectroscopy (ESI MS) and can be potentially used during corona discharge.
Application
2-Methylcyclohexa-2,5-diene-1,4-dione serves as a versatile dienophile in Diels-Alder reactions and functions as a key building block for heterocyclic scaffolds. Its conjugated diketone structure enables efficient Michael additions and enolate chemistry, while its bench-stable nature facilitates straightforward handling and purification. This compound is widely utilized in synthetic routes to bioactive molecules and natural product analogs due to its predictable reactivity and functional group tolerance.
Synthesis
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Route1
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In-stock
24599-58-4 - ~0%
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4388-07-2 -
In-stock
553-97-9
References
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Love, Brian E.; Duffy, Brian C.; Simmons, Alexander L. Tetrahedron Letters, 2014 , vol. 55, # 12 p. 1994 - 1997
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Route2
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In-stock
527-85-5 - ~99%
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In-stock
553-97-9
References
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Zagulyaeva, Aleksandra A.; Banek, Christopher T.; Yusubov, Mekhman S.; Zhdankin, Viktor V. Organic Letters, 2010 , vol. 12, # 20 p. 4644 - 4647
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Route3
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108-39-4
- ~%
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In-stock
14472-14-1 -
In-stock
553-97-9
References
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US6693221 B1, ; Page column 7-8 ;
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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-P264-P270-P302+P352
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Quality Control
Computational Chemistry Data
- TPSA 34.14
- LogP 0.6407
- H_Acceptors 2
- H_Donors 0
- Rotatable_Bonds 0
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