1-(3-Bromo-4-iodophenyl)ethan-1-one

Name: 1-(3-Bromo-4-iodophenyl)ethan-1-one
Brand: ChemScene
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CAS No. 945907-32-4
Cat. No. CS-0098682
Purity≥97%
MDL No.None

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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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1-(3-Bromo-4-iodophenyl)ethan-1-one|CS-0098682

Structure of 945907-32-4

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General Information

CAS No. 945907-32-4
Cat. No. CS-0098682
Purity ≥97%
MDL No. None
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₆BrIO
Molecular Weight 324.94
Synonym(s) 1-(3-Bromo-4-iodo-phenyl)-ethanone
SMILES CC(C1=CC=C(C(Br)=C1)I)=O

Description

1-(3-Bromo-4-iodophenyl)ethan-1-one features a dual halogenated aryl core with bromine and iodine positioned ortho to each other on the phenyl ring, enabling selective cross-coupling reactions. The ketone functionality provides a handle for further derivatization, while the molecule exhibits stability under standard bench conditions and compatibility with palladium-catalyzed transformations.

Application

1-(3-Bromo-4-iodophenyl)ethan-1-one serves as a versatile building block for palladium-catalyzed cross-coupling reactions, enabling efficient construction of biaryl scaffolds. The ortho-bromo and para-iodo substituents provide orthogonal reactivity for sequential functionalization. Its bench-stable ketone functionality offers compatibility with diverse reaction conditions, facilitating downstream derivatization in medicinal chemistry and materials synthesis.

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 17.07
LogP 3.2563
H_Acceptors 1
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Ketone

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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1-(3-Bromo-4-iodophenyl)ethan-1-one

CAS No. 945907-32-4

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