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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

4H-1-Benzopyran-2-carboxylic acid, 6-fluoro-4-oxo-

Fc1ccc2c(c1)c(=O)cc(o2)C(=O)O Request for Quotation
Chemical Name: 4H-1-Benzopyran-2-carboxylic acid, 6-fluoro-4-oxo-
CAS Number: 99199-59-4
Product Number: AG003N7Q(AGN-PC-0L59AO)
Synonyms:
MDL No:
Molecular Formula: C10H5FO4
Molecular Weight: 208.1427

Identification/Properties

Properties
MP:
257-259 °C
BP:
347.5 °C at 760 mmHg
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
208.144g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
208.017g/mol
Monoisotopic Mass:
208.017g/mol
Topological Polar Surface Area:
63.6A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
336
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
Precautionary Statements:
P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


6-Fluoro-4-oxo-4H-1-benzopyran-2-carboxylic acid, also known as $name$, serves as a key intermediate in chemical synthesis due to its versatile reactivity and functional groups. In organic synthesis, this compound is utilized as a key building block to introduce fluorine atoms into complex molecules, a crucial modification that can significantly impact the physicochemical properties of the final products. By incorporating this fluorinated derivative into synthetic pathways, chemists can access a wide range of novel compounds with enhanced biological activity, improved stability, or altered electronic properties. Additionally, the presence of the oxo and carboxylic acid functionalities on the benzopyran ring offers opportunities for further derivatization through selective reactions, enabling the synthesis of structurally diverse compounds for various applications in medicinal chemistry, material science, and agrochemical development. This compound plays a pivotal role in expanding the chemical toolbox available to synthetic chemists, allowing for the creation of innovative molecules with tailored properties and potential for various industrial and research applications.