2H-1-Benzopyran-3-carboxaldehyde, 4-chloro-2-oxo-


Chemical Name: 2H-1-Benzopyran-3-carboxaldehyde, 4-chloro-2-oxo-
CAS Number: 50329-91-4
Product Number: AG003L45(AGN-PC-0JVOX2)
Synonyms:
MDL No:
Molecular Formula: C10H5ClO3
Molecular Weight: 208.5979

Identification/Properties


Properties
MP:
126-130 °C(lit.);
BP:
374.5 °C at 760 mmHg
Form:
Solid
Computed Properties
Molecular Weight:
208.597g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
207.993g/mol
Monoisotopic Mass:
207.993g/mol
Topological Polar Surface Area:
43.4A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
309
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:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



4-Chloro-2-oxo-2H-chromene-3-carbaldehyde, also known as $name$, serves as a versatile intermediate in chemical synthesis processes. Its reactive aldehyde functional group enables it to participate in various organic transformations, making it a valuable building block for the synthesis of complex molecules in medicinal chemistry, materials science, and agrochemicals. In synthetic chemistry, $name$ can be utilized for the construction of heterocyclic compounds through condensation reactions with amines, hydrazines, or other nucleophiles. The resulting products may exhibit diverse biological activities or serve as precursors for pharmaceuticals, dyes, or natural product analogs. Additionally, the chloro substituent on the chromene ring of $name$ can be selectively modified to introduce further structural diversity and enhance the properties of the final compounds.Furthermore, the unique molecular scaffold of 4-Chloro-2-oxo-2H-chromene-3-carbaldehyde offers the opportunity for regioselective functionalization, allowing chemists to tailor the reactivity and properties of the synthesized compounds for specific applications. Overall, the strategic incorporation of $name$ in chemical synthesis provides a powerful tool for designing novel molecules with targeted properties and functions.