1-Bromo-2-chloro-3-iodobenzene

Name: 1-Bromo-2-chloro-3-iodobenzene
Brand: ChemScene
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CAS No. 57012-50-7
Cat. No. CS-0104312
Purity≥95%
MDL No.MFCD18379733

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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-Bromo-2-chloro-3-iodobenzene|CS-0104312

Structure of 57012-50-7

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General Information

CAS No. 57012-50-7
Cat. No. CS-0104312
Purity ≥95%
MDL No. MFCD18379733
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₃BrClI
Molecular Weight 317.35
Synonym(s) 3-bromo-2-chloroiodobenzene
SMILES IC1=C(Cl)C(Br)=CC=C1

Description

1-Bromo-2-chloro-3-iodobenzene features three halogens positioned ortho to one another, enabling sequential cross-coupling reactions in complex molecule assembly. This trihalogenated benzene derivative offers predictable reactivity patterns and high stability under standard conditions, facilitating precise functionalization in synthetic pathways.

Application

1-Bromo-2-chloro-3-iodobenzene serves as a versatile tri-substituted benzene building block for palladium-catalyzed cross-coupling reactions. The orthogonal reactivity of its halogen atoms enables sequential functionalization, facilitating the construction of complex aryl architectures. Its bench-stable nature and compatibility with standard coupling protocols make it well-suited for medicinal chemistry and process development workflows.

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

Quality Control

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Computational Chemistry Data

TPSA 0
LogP 3.7071
H_Acceptors 0
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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1-Bromo-2-chloro-3-iodobenzene

CAS No. 57012-50-7

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