2(3H)-Benzofuranone, 5-hydroxy-


Chemical Name: 2(3H)-Benzofuranone, 5-hydroxy-
CAS Number: 2688-48-4
Product Number: AG003MSJ(AGN-PC-0JLPNS)
Synonyms:
MDL No:
Molecular Formula: C8H6O3
Molecular Weight: 150.1314

Identification/Properties


Properties
MP:
192-194 °C
BP:
351°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Refractive Index:
1.4500 (estimate)
Computed Properties
Molecular Weight:
150.133g/mol
XLogP3:
1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
150.032g/mol
Monoisotopic Mass:
150.032g/mol
Topological Polar Surface Area:
46.5A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
178
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:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



5-Hydroxybenzofuran-2(3H)-one, also known as 5-hydroxy-2-benzofuranone, is a versatile compound widely used in chemical synthesis. Its unique molecular structure and reactivity make it a valuable building block in the production of various pharmaceuticals, agrochemicals, and fine chemicals. In organic synthesis, 5-hydroxybenzofuran-2(3H)-one serves as a key intermediate in the formation of complex heterocyclic compounds. Its hydroxy group offers opportunities for functionalization through various chemical reactions, enabling the modification of its properties and the creation of novel compounds with diverse applications. This compound is particularly valued for its role in the creation of biologically active molecules, making it a valuable tool for medicinal chemistry and drug development. Its versatile nature and compatibility with various synthetic pathways make 5-hydroxybenzofuran-2(3H)-one a valuable asset in the field of chemical synthesis.