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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)-

3-Bromo-4-iodobenzoic acid

OC(=O)c1ccc(c(c1)Br)I Request for Quotation
Chemical Name: 3-Bromo-4-iodobenzoic acid
CAS Number: 249647-25-4
Product Number: AG002Q0L(AGN-PC-013P7B)
Synonyms:
MDL No:
Molecular Formula: C7H4BrIO2
Molecular Weight: 326.9139

Identification/Properties

Computed Properties
Molecular Weight:
326.915g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
325.844g/mol
Monoisotopic Mass:
325.844g/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

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-4-iodobenzoic acid is a versatile chemical compound that finds wide application in chemical synthesis. Its unique molecular structure allows it to be utilized as a key building block in the preparation of various organic compounds. One of the main uses of 3-Bromo-4-iodobenzoic acid is in the synthesis of pharmaceutical intermediates and agrochemicals. Additionally, it is commonly employed in the production of specialty chemicals and materials due to its reactivity and functional group compatibility. This compound serves as a valuable tool in the hands of synthetic chemists, enabling the efficient creation of complex molecules with specific properties and functionalities.