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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)-

Benzoicacid, 3-chloro-5-iodo-

Clc1cc(I)cc(c1)C(=O)O Request for Quotation
Chemical Name: Benzoicacid, 3-chloro-5-iodo-
CAS Number: 289039-25-4
Product Number: AG002X09(AGN-PC-05W66B)
Synonyms:
MDL No:
Molecular Formula: C7H4ClIO2
Molecular Weight: 282.4629

Identification/Properties

Computed Properties
Molecular Weight:
282.461g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
281.894g/mol
Monoisotopic Mass:
281.894g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
163
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-Chloro-5-iodobenzoic acid is a versatile compound commonly used in chemical synthesis due to its unique molecular structure and reactivity. One of its key applications is as a versatile building block in the synthesis of pharmaceuticals, agrochemicals, and materials. The presence of both chlorine and iodine atoms on the benzene ring provides opportunities for selective functionalization, making it a valuable intermediate in organic synthesis. Additionally, the carboxylic acid group in 3-Chloro-5-iodobenzoic acid allows for further modification through esterification or amidation reactions, expanding the range of potential derivatives that can be synthesized. Furthermore, its compatibility with a variety of coupling reactions, such as Suzuki-Miyaura cross-coupling, enables the creation of complex molecular structures with high efficiency. Overall, 3-Chloro-5-iodobenzoic acid plays a crucial role in diverse chemical transformations, making it a valuable tool for chemists in their synthetic endeavors.