3,5-Cyclohexadiene-1,2-dione, 3,5-bis(1,1-dimethylethyl)-


Chemical Name: 3,5-Cyclohexadiene-1,2-dione, 3,5-bis(1,1-dimethylethyl)-
CAS Number: 3383-21-9
Product Number: AG003IPU(AGN-PC-0JLQCP)
Synonyms:
MDL No:
Molecular Formula: C14H20O2
Molecular Weight: 220.3074

Identification/Properties


Properties
MP:
112-114 °C(lit.)
BP:
302.7°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.4970 (estimate)
Computed Properties
Molecular Weight:
220.312g/mol
XLogP3:
3.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
220.146g/mol
Monoisotopic Mass:
220.146g/mol
Topological Polar Surface Area:
34.1A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
395
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



3,5-Di-tert-butyl-o-benzoquinone serves as a versatile reagent in chemical synthesis, particularly in organic chemistry. With its unique structure and properties, this compound is widely utilized for various applications including oxidation reactions. By acting as a reliable oxidizing agent, it facilitates the conversion of functional groups within organic molecules, enabling the synthesis of complex compounds. Furthermore, 3,5-Di-tert-butyl-o-benzoquinone plays a crucial role in the creation of novel materials and pharmaceuticals through its involvement in key synthetic pathways. Its distinct reactivity and selectivity make it an essential tool for chemists seeking to design and develop new molecules with specific properties.