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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, 5-fluoro-2-nitro-, ethyl ester

[O-][N+](=O)c1ccc(cc1C(=O)OCC)F Request for Quotation
Chemical Name: Benzoic acid, 5-fluoro-2-nitro-, ethyl ester
CAS Number: 364-51-2
Product Number: AG00CJ2C(AGN-PC-0NDZW8)
Synonyms:
MDL No:
Molecular Formula: C9H8FNO4
Molecular Weight: 213.1625232

Identification/Properties

Computed Properties
Molecular Weight:
213.164g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
213.044g/mol
Monoisotopic Mass:
213.044g/mol
Topological Polar Surface Area:
72.1A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
253
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


Ethyl 5-fluoro-2-nitrobenzoate is a key intermediate compound used in organic chemical synthesis. This compound plays a crucial role in the creation and modification of various pharmaceuticals, agrochemicals, and materials. Its unique chemical properties make it a valuable building block for the production of complex molecules with specific biological activities.In chemical synthesis, Ethyl 5-fluoro-2-nitrobenzoate can be utilized in the preparation of diverse organic compounds through various reactions such as nucleophilic substitution, reduction, and coupling reactions. Its fluoro and nitro functional groups enable the introduction of specific characteristics into target molecules, influencing their chemical and biological properties.This compound is particularly significant in medicinal chemistry for the development of drug candidates with enhanced bioactivity and pharmacokinetic profiles. Its presence in the molecular structure of pharmaceutical compounds can impart desired physicochemical properties, improving their efficacy and selectivity in biological systems.Additionally, Ethyl 5-fluoro-2-nitrobenzoate serves as a versatile synthetic building block in the synthesis of fine chemicals, pesticides, and materials with tailored properties. Its strategic incorporation into chemical structures allows for the fine-tuning of reactivity, solubility, and other key parameters, paving the way for the creation of innovative products with diverse applications in industry.Overall, the application of Ethyl 5-fluoro-2-nitrobenzoate in chemical synthesis underscores its importance as a versatile precursor in the design and production of advanced organic compounds with specialized functions and potential therapeutic benefits.