1-Bromo-2-chloro-4-fluoro-5-nitrobenzene

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

CAS No. 111010-08-3
Cat. No. CS-0088553
Purity≥97%
MDL No.MFCD20528320

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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-4-fluoro-5-nitrobenzene|CS-0088553

Structure of 111010-08-3

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General Information

CAS No. 111010-08-3
Cat. No. CS-0088553
Purity ≥97%
MDL No. MFCD20528320
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₂BrClFNO₂
Molecular Weight 254.44
Synonym(s) None
SMILES FC1=CC(Cl)=C(Br)C=C1[N+]([O-])=O

Description

1-Bromo-2-chloro-4-fluoro-5-nitrobenzene is a highly functionalized aryl halide featuring orthogonal reactivity across bromine, chlorine, fluorine, and nitro groups. This electron-deficient scaffold enables selective cross-coupling under palladium catalysis, with the nitro group serving as a directing handle for regioselective transformations. Bench-stable and moisture-tolerant, it integrates seamlessly into complex molecular architectures in medicinal chemistry and materials science.

Application

1-Bromo-2-chloro-4-fluoro-5-nitrobenzene serves as a versatile polyhalogenated aromatic building block for transition metal-catalyzed cross-coupling reactions. Its orthogonal halogen reactivity enables sequential functionalization, while the nitro group provides a handle for downstream reduction and heterocycle construction. Bench-stable and compatible with standard synthetic workflows, it facilitates efficient access to complex substituted arenes relevant in pharmaceutical and agrochemical research.

Synthesis

Route1
- In-stock
  
  700-37-8
- ~93%
- In-stock
  
  111010-08-3
References
- Chugai Seiyaku Kabushiki Kaisha Patent: US6331553 B1, 2001 ;

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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

TPSA 43.14
LogP 3.1498
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Functional Group Nitro compounds

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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1-Bromo-2-chloro-4-fluoro-5-nitrobenzene

CAS No. 111010-08-3

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