1-Bromo-2-fluoro-5-iodo-4-methylbenzene

Name: 1-Bromo-2-fluoro-5-iodo-4-methylbenzene
Brand: ChemScene
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CAS No. 870704-15-7
Cat. No. CS-0148866
Purity≥97%
MDL No.MFCD06200719

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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-fluoro-5-iodo-4-methylbenzene|CS-0148866

Structure of 870704-15-7

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Description

1-Bromo-2-fluoro-5-iodo-4-methylbenzene features a trihalogenated aromatic core with orthogonal functional handles, enabling sequential cross-coupling strategies in complex molecule assembly. The methyl group enhances solubility while the fluorine and bromine positions offer complementary reactivity for palladium-catalyzed transformations under standard conditions.

Application

1-Bromo-2-fluoro-5-iodo-4-methylbenzene serves as a versatile trihalogenated aromatic building block for cross-coupling reactions, enabling sequential functionalization via palladium-catalyzed processes. The orthogonal reactivity of bromo, fluoro, and iodo substituents facilitates selective transformations, while the methyl group provides a handle for further derivatization. Bench-stable and compatible with standard synthetic workflows, it functions effectively in Suzuki, Stille, and Negishi coupling sequences, supporting efficient construction of complex aryl architectures in medicinal chemistry and materials science applications.

General Information

CAS No. 870704-15-7
Cat. No. CS-0148866
Purity ≥97%
MDL No. MFCD06200719
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₅BrFI
Molecular Weight 314.92
Synonym(s) 4-Bromo-5-fluoro-2-iodotoluene
SMILES CC1=CC(F)=C(Br)C=C1I

Computational Chemistry Data

TPSA 0
LogP 3.50122
H_Acceptors 0
H_Donors 0
Rotatable_Bonds 0

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-H413
Precautionary Statements : P264-P270-P273-P330-P501

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Other Classifications

Building Blocks Functional Group Fluoride

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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1-Bromo-2-fluoro-5-iodo-4-methylbenzene

CAS No. 870704-15-7

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