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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 2,5-difluoro-4-nitrobenzoate

COC(=O)c1cc(F)c(cc1F)[N+](=O)[O-] Request for Quotation
Chemical Name: methyl 2,5-difluoro-4-nitrobenzoate
CAS Number: 924868-81-5
Product Number: AG00GUTS(AGN-PC-01XG0L)
Synonyms:
MDL No:
Molecular Formula: C8H5F2NO4
Molecular Weight: 217.1264

Identification/Properties

Computed Properties
Molecular Weight:
217.128g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
2
Exact Mass:
217.019g/mol
Monoisotopic Mass:
217.019g/mol
Topological Polar Surface Area:
72.1A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
268
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:
H302-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 2,5-difluoro-4-nitrobenzoate is a versatile compound that finds significant application in chemical synthesis. This compound serves as a key building block in the creation of various organic molecules due to its unique chemical properties. Specifically, in chemical synthesis, Methyl 2,5-difluoro-4-nitrobenzoate can be employed as a precursor in the preparation of complex pharmaceuticals, agrochemicals, and materials.In organic synthesis, the presence of both fluorine and nitro functional groups on the benzene ring confers distinct reactivity to Methyl 2,5-difluoro-4-nitrobenzoate. These functional groups can undergo diverse chemical transformations, enabling the introduction of specific functionalities into target molecules. By selectively modifying these groups, chemists can tailor the structure and properties of the final compounds, making Methyl 2,5-difluoro-4-nitrobenzoate a valuable asset in the design of novel organic compounds.Furthermore, Methyl 2,5-difluoro-4-nitrobenzoate's compatibility with various synthetic methodologies, such as nucleophilic substitution and palladium-catalyzed coupling reactions, enhances its utility in the synthesis of complex organic structures. Its ability to participate in these diverse transformations underscores its importance as a strategic building block for the construction of intricate molecular architectures in chemical research and development.