1-Bromo-4,5-dichloro-2-fluorobenzene

Name: 1-Bromo-4,5-dichloro-2-fluorobenzene
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 1000572-78-0
Cat. No. CS-0168191
Purity≥98%
MDL No.MFCD09878158

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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-4,5-dichloro-2-fluorobenzene|CS-0168191

Structure of 1000572-78-0

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General Information

CAS No. 1000572-78-0
Cat. No. CS-0168191
Purity ≥98%
MDL No. MFCD09878158
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₂BrCl₂F
Molecular Weight 243.89
Synonym(s) 3-[4-(trifluoromethoxy)phenyl]-1-propanol
SMILES FC1=CC(Cl)=C(Cl)C=C1Br

Description

1-Bromo-4,5-dichloro-2-fluorobenzene features a densely halogenated aromatic core with strategic substitution at the 1-, 2-, 4-, and 5-positions. This electron-deficient scaffold enables direct incorporation into cross-coupling reactions, serving as a key building block for advanced pharmaceutical intermediates and functional materials.

Application

1-Bromo-4,5-dichloro-2-fluorobenzene serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling palladium-catalyzed cross-coupling reactions due to its well-defined halogen reactivity profile. The strategic placement of bromine, chlorine, and fluorine substituents provides orthogonal functionalization potential and enhances metabolic stability in target scaffolds. Its bench-stable nature and compatibility with standard reaction conditions facilitate efficient downstream derivatization.

Synthesis

Route1
- In-stock
  
  2729-36-4
- ~72%
- In-stock
  
  1000572-78-0
References
- Dow AgroSciences LLC Patent: US2009/48109 A1, 2009 ; Location in patent: Page/Page column 7 ;

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362-P405-P501

Quality Control

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Computational Chemistry Data

TPSA 0
LogP 3.895
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-4,5-dichloro-2-fluorobenzene

CAS No. 1000572-78-0

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