Methyl 4-bromo-3-iodobenzoate

Name: Methyl 4-bromo-3-iodobenzoate
Brand: ChemScene
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CAS No. 1257231-51-8
Cat. No. CS-0132101
Purity≥98%
MDL No.MFCD18398802

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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 4-bromo-3-iodobenzoate|CS-0132101

Structure of 1257231-51-8

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Description

Methyl 4-bromo-3-iodobenzoate features a dual halogenated aromatic core, enabling efficient cross-coupling reactions in synthetic organic chemistry. The strategically positioned bromo and iodo groups facilitate sequential functionalization, while the methyl ester provides a handle for further derivatization. This compound serves as a versatile intermediate in the construction of complex pharmaceuticals and functional materials under standard conditions.

Application

Methyl 4-bromo-3-iodobenzoate serves as a versatile dihalogenated aromatic building block for palladium-catalyzed cross-coupling reactions. The orthogonal reactivity of bromo and iodo groups enables sequential functionalization in complex molecule synthesis. Its bench-stable, crystalline nature facilitates handling and purification, while the ester functionality provides compatibility with standard synthetic transformations.

General Information

CAS No. 1257231-51-8
Cat. No. CS-0132101
Purity ≥98%
MDL No. MFCD18398802
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₆BrIO₂
Molecular Weight 340.94
Synonym(s) Methyl4-bromo-3-iodobenzoate
SMILES O=C(OC)C1=CC=C(Br)C(I)=C1

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 :	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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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 4-bromo-3-iodobenzoate

CAS No. 1257231-51-8

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