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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, 2,4-difluoro-5-nitro-, methyl ester

COC(=O)c1cc([N+](=O)[O-])c(cc1F)F Request for Quotation
Chemical Name: Benzoic acid, 2,4-difluoro-5-nitro-, methyl ester
CAS Number: 125568-71-0
Product Number: AG000NWW(AGN-PC-009AM2)
Synonyms:
MDL No: MFCD07779369
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

NMR Spectrum

Other Analytical Data

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Chemical Structure


Methyl 2,4-difluoro-5-nitrobenzoate is a valuable compound used in chemical synthesis for its unique properties. This compound serves as a versatile building block in the preparation of various organic molecules due to its specific structural characteristics. In chemical synthesis, Methyl 2,4-difluoro-5-nitrobenzoate can be utilized as a key intermediate in the production of pharmaceuticals, agrochemicals, and materials. Its presence allows chemists to introduce fluorine and nitro groups into target molecules, imparting desired properties such as increased biological activity, improved stability, or altered reactivity.Furthermore, the strategic placement of the difluoro and nitro functionalities in Methyl 2,4-difluoro-5-nitrobenzoate enables precise control over the regioselectivity and stereochemistry of subsequent reactions in a synthesis pathway. This compound plays a crucial role in the advancement of organic chemistry by facilitating the construction of complex molecular structures with high efficiency and precision.