1-Bromo-4-iodo-2,3-dimethylbenzene

Name: 1-Bromo-4-iodo-2,3-dimethylbenzene
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 1160573-43-2
Cat. No. CS-0061160
Purity≥98%
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-Bromo-4-iodo-2,3-dimethylbenzene|CS-0061160

Structure of 1160573-43-2

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Description

1-Bromo-4-iodo-2,3-dimethylbenzene features dual halogen substituents on a substituted benzene ring, enabling precise cross-coupling reactions. The ortho-methyl groups provide steric stabilization, while the bromo and iodo functionalities offer complementary reactivity in Pd-catalyzed transformations. This compound serves as a key intermediate in the synthesis of functionalized aromatic systems with controlled regiochemistry.

Application

1-Bromo-4-iodo-2,3-dimethylbenzene serves as a versatile diaryl building block for palladium-catalyzed cross-coupling reactions. The orthogonal halogen reactivity enables sequential functionalization—bromine participates in Suzuki, Stille, or Negishi couplings, while iodine undergoes efficient Sonogashira or Buchwald–Hartwig transformations. Bench-stable and readily purified by column chromatography, it facilitates the construction of complex biaryl scaffolds and substituted heterocycles in medicinal chemistry and materials synthesis.

General Information

CAS No. 1160573-43-2
Cat. No. CS-0061160
Purity ≥98%
MDL No. None
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₈BrI
Molecular Weight 310.96
Synonym(s) None
SMILES CC1=C(C)C(=CC=C1Br)I

Computational Chemistry Data

TPSA 0
LogP 3.67054
H_Acceptors 0
H_Donors 0
Rotatable_Bonds 0

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-P280-P302+P352

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Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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1-Bromo-4-iodo-2,3-dimethylbenzene

CAS No. 1160573-43-2

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