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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-2-ethyl-

CCc1c(Br)cccc1C(=O)O Request for Quotation
Chemical Name: Benzoic acid, 3-bromo-2-ethyl-
CAS Number: 99548-72-8
Product Number: AG003J0D(AGN-PC-080FKZ)
Synonyms:
MDL No:
Molecular Formula: C9H9BrO2
Molecular Weight: 229.0706

Identification/Properties

Properties
MP:
100-101℃
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

GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
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


3-Bromo-2-ethylbenzoic acid is a versatile compound widely used in chemical synthesis for various applications. One of the key applications of this compound is its use as a building block in organic synthesis. Due to the presence of the bromine group and the ethyl chain in its structure, 3-Bromo-2-ethylbenzoic acid serves as a valuable intermediate in the preparation of a variety of more complex organic compounds.In particular, this compound can be employed in the synthesis of pharmaceuticals, agrochemicals, and other fine chemicals. The bromine atom can undergo various reactions, such as substitution and coupling reactions, enabling the modification of the compound to introduce specific functional groups or structural motifs. The ethyl chain provides versatility in the attachment of other groups, allowing for further customization of the molecule.Additionally, 3-Bromo-2-ethylbenzoic acid can participate in cross-coupling reactions, such as Suzuki and Heck reactions, to form carbon-carbon bonds with other organic molecules. These reactions are essential in the construction of complex organic frameworks found in many biologically active compounds.Overall, the strategic positioning of the bromine and ethyl groups in 3-Bromo-2-ethylbenzoic acid makes it a valuable tool in chemical synthesis, enabling the efficient assembly of diverse organic molecules with applications across various industries.