2-FLUORO-5-METHYL-4-NITROBROMOBENZENE|948294-26-6,AngeneChemical

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Pyrimidine, 5-bromo-2-methyl-

1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide

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)-

2-FLUORO-5-METHYL-4-NITROBROMOBENZENE

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Chemical Name:	2-FLUORO-5-METHYL-4-NITROBROMOBENZENE
CAS Number:	948294-26-6
Product Number:	AG00IIKU(AGN-PC-0WAL5O)
Synonyms:
MDL No:
Molecular Formula:	C7H5BrFNO2
Molecular Weight:	234.0225

Identification/Properties
Safety Information
NMR Spectrum
Other Analytical Data
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Identification/Properties

Computed Properties

Molecular Weight:

234.024g/mol

XLogP3:

2.9

Hydrogen Bond Donor Count:

Hydrogen Bond Acceptor Count:

Rotatable Bond Count:

Exact Mass:

232.949g/mol

Monoisotopic Mass:

232.949g/mol

Topological Polar Surface Area:

45.8A^2

Heavy Atom Count:

Formal Charge:

Complexity:

185

Isotope Atom Count:

Defined Atom Stereocenter Count:

Undefined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Undefined Bond Stereocenter Count:

Covalently-Bonded Unit Count:

Compound Is Canonicalized:

Yes

Safety Information

GHS Pictogram:

N/A

Signal Word:

UN#:

Hazard Statements:

Precautionary Statements:

Class:

Packing Group:

NMR Spectrum

Other Analytical Data

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Chemical Structure

1-Bromo-2-fluoro-5-methyl-4-nitrobenzene is a versatile chemical compound that finds extensive use in chemical synthesis processes. This compound is commonly employed as a key building block in the synthesis of various pharmaceuticals, agrochemicals, and fine chemicals. Its unique structure, containing both bromine and fluorine substituents in addition to a nitro group, imparts specific reactivity that allows for selective transformations in synthetic routes.In organic synthesis, 1-Bromo-2-fluoro-5-methyl-4-nitrobenzene serves as a valuable starting material for the introduction of functional groups via substitution reactions. The presence of both bromine and fluorine atoms enables the compound to participate in diverse substitution reactions, leading to the formation of complex molecular structures with precise regioselectivity and stereochemistry. This compound can undergo reactions such as nucleophilic substitutions, palladium-catalyzed cross-coupling reactions, and aromatic transformations to yield intricate molecular frameworks with high efficiency.Furthermore, the strategic positioning of the nitro group in 1-Bromo-2-fluoro-5-methyl-4-nitrobenzene enhances its utility as a synthetic intermediate. The nitro group can serve as a directing group in various functionalization reactions, facilitating regioselective transformations at specific positions on the benzene ring. This feature is particularly advantageous in multi-step synthetic pathways where precise control over the site of reactivity is essential for the formation of desired products.Overall, the application of 1-Bromo-2-fluoro-5-methyl-4-nitrobenzene in chemical synthesis is instrumental in the efficient construction of complex organic molecules with tailored properties. Its versatility and reactivity make it a valuable tool for synthetic chemists working in the fields of medicinal chemistry, materials science, and agrochemical development.