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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)-

ethyl 2,5-difluoro-4-nitrobenzoate

CCOC(=O)c1cc(F)c(cc1F)[N+](=O)[O-] Request for Quotation
Chemical Name: ethyl 2,5-difluoro-4-nitrobenzoate
CAS Number: 1214367-00-6
Product Number: AG0014WF(AGN-PC-07QVHS)
Synonyms:
MDL No:
Molecular Formula: C9H7F2NO4
Molecular Weight: 231.1530

Identification/Properties

Computed Properties
Molecular Weight:
231.155g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
3
Exact Mass:
231.034g/mol
Monoisotopic Mass:
231.034g/mol
Topological Polar Surface Area:
72.1A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
281
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


Ethyl 2,5-difluoro-4-nitrobenzoate is a valuable compound used in chemical synthesis as a versatile building block for organic reactions. Due to its unique structure containing both fluorine and nitro groups, this compound serves as an important intermediate in the synthesis of various pharmaceuticals, agrochemicals, and materials.In chemical synthesis, Ethyl 2,5-difluoro-4-nitrobenzoate can undergo various transformations to introduce fluorine and nitro functionalities into more complex molecules. This compound can be used as a key starting material for the synthesis of fluorinated benzene derivatives, which are important in medicinal chemistry for improving the bioavailability and metabolic stability of drugs.Furthermore, the nitro group in Ethyl 2,5-difluoro-4-nitrobenzoate can be selectively reduced to an amino group, enabling further derivatization to introduce diverse functional groups. This flexibility makes it a valuable building block for the synthesis of a wide range of compounds with tailored properties.Overall, Ethyl 2,5-difluoro-4-nitrobenzoate plays a crucial role in chemical synthesis by enabling the efficient construction of complex molecules with fluorine and nitro functionalities, making it an essential compound in the development of advanced materials and pharmaceuticals.