Methyl 2-bromo-4-iodobenzoate

Name: Methyl 2-bromo-4-iodobenzoate
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CAS No. 1261588-35-5
Cat. No. CS-0131362
Purity≥97%
MDL No.MFCD11870175

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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-4-iodobenzoate|CS-0131362

Structure of 1261588-35-5

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General Information

CAS No. 1261588-35-5
Cat. No. CS-0131362
Purity ≥97%
MDL No. MFCD11870175
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₆BrIO₂
Molecular Weight None
Synonym(s) Benzoic acid, 2-bromo-4-iodo-, methyl ester
SMILES O=C(OC)C1=CC=C(I)C=C1Br

Description

Methyl 2-bromo-4-iodobenzoate features a dual halogenated aromatic core enabling precise cross-coupling transformations. The bromo group at the ortho position and iodine at the para position offer orthogonal reactivity, facilitating sequential functionalization in complex molecule assembly. This bench-stable derivative combines high reactivity with predictable selectivity under standard catalytic conditions.

Application

Methyl 2-bromo-4-iodobenzoate serves as a versatile dihalogenated aromatic building block for palladium-catalyzed cross-coupling reactions. The bromo and iodo substituents enable sequential functionalization via Suzuki, Stille, or Negishi coupling protocols. Bench-stable and readily purified by flash chromatography, it functions effectively in the construction of substituted biaryl scaffolds and heterocyclic systems common in medicinal chemistry and materials science.

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+H312+H332-H315-H319-H335
Precautionary Statements : P260-P271-P280

Quality Control

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Computational Chemistry Data

TPSA 26.3
LogP 2.8403
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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Methyl 2-bromo-4-iodobenzoate

CAS No. 1261588-35-5

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