2-Bromo-1-fluoro-4-iodobenzene

Name: 2-Bromo-1-fluoro-4-iodobenzene
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 811842-30-5
Cat. No. CS-W003193
Purity≥98%
MDL No.MFCD04116322

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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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2-Bromo-1-fluoro-4-iodobenzene|CS-W003193

Structure of 811842-30-5

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General Information

CAS No. 811842-30-5
Cat. No. CS-W003193
Purity ≥98%
MDL No. MFCD04116322
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₃BrFI
Molecular Weight 300.90
Synonym(s) Benzene, 2-bromo-1-fluoro-4-iodo-
SMILES Ic1ccc(c(c1)Br)F

Description

2-Bromo-1-fluoro-4-iodobenzene features a trihalogenated aromatic core with distinct electronic and steric profiles. This ortho-fluoro, para-iodo substitution pattern enables selective cross-coupling reactions in palladium-catalyzed transformations. The molecule combines halogen reactivity with enhanced stability under standard conditions, facilitating efficient incorporation into complex molecular architectures.

Application

2-Bromo-1-fluoro-4-iodobenzene serves as a versatile trihalogenated benzene building block for palladium-catalyzed cross-coupling reactions. Its orthogonal halogen reactivity enables sequential functionalization, facilitating the construction of complex biaryl and heteroaryl scaffolds. The molecule exhibits excellent bench stability and compatibility with standard reaction conditions, simplifying purification and scale-up in medicinal chemistry and materials synthesis workflows.

Synthesis

Route1
- In-stock
  
  656-64-4
- ~71%
- In-stock
  
  811842-30-5
References
- ELI LILLY AND COMPANY Patent: WO2005/94822 A1, 2005 ; Location in patent: Page/Page column 45 ; WO 2005/094822 A1

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H227-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 0
LogP 3.1928
H_Acceptors 0
H_Donors 0
Rotatable_Bonds 0

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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2-Bromo-1-fluoro-4-iodobenzene

CAS No. 811842-30-5

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