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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 3-bromo-4-fluorobenzoate

CCOC(=O)c1ccc(c(c1)Br)F Request for Quotation
Chemical Name: ethyl 3-bromo-4-fluorobenzoate
CAS Number: 23233-33-2
Product Number: AG002MMC(AGN-PC-04QZSX)
Synonyms:
MDL No: MFCD06204378
Molecular Formula: C9H8BrFO2
Molecular Weight: 247.0610

Identification/Properties

Computed Properties
Molecular Weight:
247.063g/mol
XLogP3:
2.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
245.969g/mol
Monoisotopic Mass:
245.969g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
187
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-H320-H335
Precautionary Statements:
P264-P270-P301+P312-P330
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


Benzoic acid, 3-bromo-4-fluoro-, ethyl ester is a versatile compound widely used in chemical synthesis, particularly in the field of organic chemistry. This compound serves as a key building block for the creation of various pharmaceuticals, agrochemicals, and fine chemicals. Additionally, its unique structure and reactivity make it a valuable intermediate in the synthesis of complex organic molecules.One of the primary applications of benzoic acid, 3-bromo-4-fluoro-, ethyl ester is in the synthesis of novel drug candidates. By incorporating this compound into the molecular structure of pharmaceuticals, researchers can modify the pharmacological properties of the final drug, such as improving bioavailability or enhancing target specificity. This compound's functional groups enable diverse chemical transformations, allowing for the introduction of specific functionalities critical for biological activity.In agrochemical synthesis, benzoic acid, 3-bromo-4-fluoro-, ethyl ester plays a crucial role in the development of crop protection products and pest control agents. Its chemical reactivity allows for the creation of potent pesticides with enhanced selectivity and efficacy. Moreover, its ability to participate in diverse chemical reactions enables the design of environmentally friendly and sustainable agricultural chemicals.Furthermore, in the realm of fine chemical synthesis, this compound is employed in the production of specialty chemicals and high-value compounds used in various industries. Its structural features enable the formation of intricate molecular architectures, making it a key component in the creation of advanced materials, catalysts, and specialty additives.Overall, benzoic acid, 3-bromo-4-fluoro-, ethyl ester is a valuable tool in chemical synthesis, offering synthetic chemists a versatile building block for the development of innovative pharmaceuticals, agrochemicals, and fine chemicals. Its strategic incorporation into molecular design facilitates the custom-tailoring of compounds with desired properties for diverse applications.