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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)-

Benzoic acid, 2-fluoro-5-iodo-

Ic1ccc(c(c1)C(=O)O)F Request for Quotation
Chemical Name: Benzoic acid, 2-fluoro-5-iodo-
CAS Number: 124700-41-0
Product Number: AG000MMS(AGN-PC-0KKZ83)
Synonyms:
MDL No: MFCD03094517
Molecular Formula: C7H4FIO2
Molecular Weight: 266.0083

Identification/Properties

Computed Properties
Molecular Weight:
266.01g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
265.924g/mol
Monoisotopic Mass:
265.924g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
163
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


Benzoic acid, 2-fluoro-5-iodo-, is a versatile chemical compound commonly utilized in chemical synthesis processes. This specific derivative of benzoic acid plays a key role in various reactions due to the unique characteristics imparted by the fluorine and iodine moieties in its structure. In organic chemistry, the 2-fluoro-5-iodo- substitution pattern offers selectivity in reaction pathways and enables the formation of specific structural motifs that are valuable in the synthesis of pharmaceuticals, agrochemicals, and advanced materials. Its presence can influence regioselectivity, stereochemistry, and reactivity in a range of chemical transformations, making it a valuable building block for creating diverse molecular structures with tailored properties. Additionally, the 2-fluoro-5-iodo- modification can act as a directing group in metal-catalyzed reactions, facilitating the site-selective functionalization of aromatic compounds. In summary, Benzoic acid, 2-fluoro-5-iodo-, serves as a strategic intermediate in the synthesis of complex molecules, offering synthetic chemists a powerful tool for achieving precise and efficient chemical transformations.