Methyl 2-bromo-3-iodobenzoate

Name: Methyl 2-bromo-3-iodobenzoate
Brand: ChemScene
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CAS No. 1261797-04-9
Cat. No. CS-0168152
Purity≥95%
MDL No.MFCD11520418

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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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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Methyl 2-bromo-3-iodobenzoate|CS-0168152

Structure of 1261797-04-9

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Description

Methyl 2-bromo-3-iodobenzoate is a bifunctional aryl halide featuring strategically positioned bromo and iodo groups on a methyl benzoate scaffold. This orthogonal reactivity profile enables sequential cross-coupling processes in synthetic methodology. The molecule exhibits robust stability under standard conditions, facilitating reliable use in palladium-catalyzed transformations.

Application

Methyl 2-bromo-3-iodobenzoate serves as a versatile dihalogenated aromatic building block for palladium-catalyzed cross-coupling reactions. The ortho-bromo and meta-iodo substituents enable sequential functionalization via Suzuki, Stille, or Negishi coupling protocols, with excellent chemoselectivity and stability under standard reaction conditions. Its bench-stable nature and compatibility with diverse functional groups make it ideal for the synthesis of complex biaryl scaffolds and substituted heterocycles in medicinal chemistry and materials science applications.

General Information

CAS No. 1261797-04-9
Cat. No. CS-0168152
Purity ≥95%
MDL No. MFCD11520418
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₆BrIO₂
Molecular Weight None
Synonym(s) JPSAQWAATAFSOK-UHFFFAOYSA-N
SMILES O=C(OC)C1=CC=CC(I)=C1Br

Computational Chemistry Data

TPSA 26.3
LogP 2.8403
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 1

Safety Information

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GHS Pictogram : N/A	GHS No : N/A
Signal Word : N/A	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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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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Methyl 2-bromo-3-iodobenzoate

CAS No. 1261797-04-9

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