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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, 3-bromo-4-ethyl-

CCc1ccc(cc1Br)C(=O)O Request for Quotation
Chemical Name: Benzoic acid, 3-bromo-4-ethyl-
CAS Number: 99548-53-5
Product Number: AG00651G(AGN-PC-0LYGHS)
Synonyms:
MDL No:
Molecular Formula: C9H9BrO2
Molecular Weight: 229.0706

Identification/Properties

Properties
MP:
165℃ (ethanol )
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
229.073g/mol
XLogP3:
2.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
227.979g/mol
Monoisotopic Mass:
227.979g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
170
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


3-Bromo-4-ethylbenzoic acid is a versatile compound widely used in chemical synthesis applications. With its unique structural characteristics, this organic acid serves as a valuable building block in the creation of various pharmaceuticals, agrochemicals, and specialty chemicals. In the field of medicinal chemistry, 3-Bromo-4-ethylbenzoic acid can be utilized as a key intermediate in the synthesis of potential drug candidates. Its structural moiety enables the modification of molecular properties to enhance biological activity and improve pharmacokinetic profiles. By incorporating this compound into the synthesis of pharmaceuticals, researchers can explore new chemical entities with diverse therapeutic potentials.Moreover, in agrochemical synthesis, 3-Bromo-4-ethylbenzoic acid plays a crucial role in developing crop protection products. Its structural flexibility allows for the design of potent herbicides, fungicides, and insecticides that target specific pests or pathogens. By strategizing its incorporation into the molecular structure of agrochemicals, chemists can tailor-make formulations with enhanced efficacy and environmental sustainability.Additionally, in the realm of specialty chemicals, 3-Bromo-4-ethylbenzoic acid serves as a valuable precursor for the production of advanced materials. Its functional groups can undergo various chemical transformations to yield compounds used in industries such as electronics, polymers, and coatings. By harnessing the synthetic versatility of this acid, chemists can innovate and create high-performance materials for a wide range of industrial applications.