Ethyl 3-bromo-4-iodobenzoate

Name: Ethyl 3-bromo-4-iodobenzoate
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CAS No. 386267-31-8
Cat. No. CS-0040982
Molecule weight354.97
Purity≥98%
MDL No.MFCD11520423

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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+
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General Information

CAS No. 386267-31-8
Cat. No. CS-0040982
Purity ≥98%
MDL No. MFCD11520423
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₈BrIO₂
Molecular Weight 354.97
Synonym(s) Benzoic acid, 3-bromo-4-iodo-, ethyl ester
SMILES O=C(OCC)C1=CC=C(I)C(Br)=C1

Description

Ethyl 3-bromo-4-iodobenzoate features a dual halogenated aromatic core, enabling efficient cross-coupling reactions. The bromo and iodo substituents offer orthogonal reactivity for sequential functionalization. This bench-stable ester integrates readily into complex molecular architectures under standard conditions.

Application

Ethyl 3-bromo-4-iodobenzoate serves as a versatile dihalogenated building block for palladium-catalyzed cross-coupling reactions. The bromo and iodo groups enable sequential functionalization via Suzuki, Stille, or Negishi coupling protocols, with the iodide typically reacting first under mild conditions. Its stability under standard bench handling and ease of purification make it suitable for iterative synthesis of complex biaryl scaffolds and pharmaceutical intermediates.

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 26.3
LogP 3.2304
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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Ethyl 3-bromo-4-iodobenzoate

CAS No. 386267-31-8

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