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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)-

methyl 4-bromo-5-fluoro-2-nitrobenzoate

COC(=O)c1cc(F)c(cc1[N+](=O)[O-])Br Request for Quotation
Chemical Name: methyl 4-bromo-5-fluoro-2-nitrobenzoate
CAS Number: 1220886-29-2
Product Number: AG0016QG(AGN-PC-0HGDQY)
Synonyms:
MDL No:
Molecular Formula: C8H5BrFNO4
Molecular Weight: 278.0320

Identification/Properties

Computed Properties
Molecular Weight:
278.033g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
276.939g/mol
Monoisotopic Mass:
276.939g/mol
Topological Polar Surface Area:
72.1A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
270
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


Methyl 4-bromo-5-fluoro-2-nitrobenzoate is a versatile compound commonly used in chemical synthesis as a key intermediate for creating various organic molecules. Its unique structure allows for precise manipulation and control during reactions, making it an essential building block in the synthesis of pharmaceuticals, agrochemicals, and materials.One of the main applications of Methyl 4-bromo-5-fluoro-2-nitrobenzoate is its use in the development of novel drug candidates. By strategically incorporating this compound into complex organic frameworks, chemists can fine-tune the biological activity and properties of potential medications. Additionally, its presence can enhance the overall efficiency and selectivity of chemical reactions, leading to improved yields and purity of the final products.In the field of agrochemicals, Methyl 4-bromo-5-fluoro-2-nitrobenzoate plays a crucial role in the synthesis of crop protection agents and pest control compounds. Its structural features can be tailored to exhibit specific modes of action against target organisms while minimizing detrimental effects on non-target species and the environment.Furthermore, this compound finds application in materials science for the creation of advanced polymers, dyes, and functional materials. Its compatibility with various synthesis routes and functional groups makes it a valuable tool for designing materials with customized properties such as optical, electronic, or mechanical characteristics.Overall, Methyl 4-bromo-5-fluoro-2-nitrobenzoate's versatility and utility in chemical synthesis make it a cornerstone in the development of diverse organic compounds with significant implications for pharmaceuticals, agrochemicals, and materials science.