1,4-Naphthalenedione, 2,3-dichloro-5,8-dihydroxy-


Chemical Name: 1,4-Naphthalenedione, 2,3-dichloro-5,8-dihydroxy-
CAS Number: 14918-69-5
Product Number: AG003FH3(AGN-PC-0O3V2T)
Synonyms:
MDL No:
Molecular Formula: C10H4Cl2O4
Molecular Weight: 259.0424

Identification/Properties


Properties
MP:
197-199 °C(lit.)
BP:
366.21°C (rough estimate)
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.5110 (estimate)
Computed Properties
Molecular Weight:
259.038g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
0
Exact Mass:
257.949g/mol
Monoisotopic Mass:
257.949g/mol
Topological Polar Surface Area:
74.6A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
334
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#:
N/A
Hazard Statements:
H302-H312-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



2,3-Dichloro-5,8-dihydroxynaphthalene-1,4-dione is a versatile compound that finds extensive application in chemical synthesis, particularly in the realm of organic chemistry. This compound serves as a key building block in the creation of various pharmaceuticals, agrochemicals, and specialty chemicals. Its unique molecular structure enables it to participate in a range of reactions, allowing for the synthesis of complex molecules with specific biological activities.In chemical synthesis, 2,3-Dichloro-5,8-dihydroxynaphthalene-1,4-dione acts as a valuable precursor for the preparation of heterocyclic compounds, which are essential in drug discovery and development. By undergoing selective transformations, this compound can be modified to introduce different functional groups, enabling the synthesis of diverse chemical entities with tailored properties. Additionally, its presence in the synthesis pathway can impart desirable characteristics to the final products, such as improved stability or enhanced biological efficacy.Researchers and chemists often utilize 2,3-Dichloro-5,8-dihydroxynaphthalene-1,4-dione as a strategic intermediate in the synthesis of bioactive compounds, natural products, and other complex molecules of interest. Its versatility and reactivity make it a valuable tool for designing and accessing novel chemical structures with potential applications in various fields, including medicine, agriculture, and materials science. By harnessing the synthetic potential of this compound, chemists can innovate and advance the development of new chemical entities with diverse functionalities and applications.