4-Bromo-2-iodobenzoic acid

Name: 4-Bromo-2-iodobenzoic acid
Brand: ChemScene
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CAS No. 1133123-02-0
Cat. No. CS-0067143
Purity≥97%
MDL No.MFCD12767500

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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Structure of 1133123-02-0

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General Information

CAS No. 1133123-02-0
Cat. No. CS-0067143
Purity ≥97%
MDL No. MFCD12767500
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₄BrIO₂
Molecular Weight None
Synonym(s) 4-Bromo-2-iodobenzoicacid
SMILES O=C(O)C1=CC=C(Br)C=C1I

Description

4-Bromo-2-iodobenzoic acid features a benzoic acid core with strategically positioned bromo and iodo substituents, enabling efficient transition metal-catalyzed cross-coupling reactions. The electron-deficient aromatic ring facilitates palladium-mediated transformations, while the carboxylic acid group provides a handle for derivatization or conjugation in synthetic sequences. This compound serves as a key intermediate in the synthesis of functionalized biaryl systems and pharmaceutical scaffolds.

Application

4-Bromo-2-iodobenzoic acid serves as a versatile building block for palladium-catalyzed cross-coupling reactions, enabling efficient construction of biaryl scaffolds. Its orthogonal halogen reactivity—bromine typically undergoing Suzuki or Stille coupling while iodine participates in faster Negishi or Sonogashira transformations—facilitates sequential functionalization. The carboxylic acid group supports direct derivatization or acts as a handle for further synthetic elaboration, offering enhanced solubility and purification advantages in multi-step synthesis.

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302
Precautionary Statements : P264-P270-P301+P310-P330-P501

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Computational Chemistry Data

TPSA 37.3
LogP 2.7519
H_Acceptors 1
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Carboxylic Acid

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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4-Bromo-2-iodobenzoic acid

CAS No. 1133123-02-0

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