5-Bromo-1-chloro-3-fluoro-2-nitrobenzene

Name: 5-Bromo-1-chloro-3-fluoro-2-nitrobenzene
Brand: ChemScene
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CAS No. 218797-71-8
Cat. No. CS-0120125
Purity≥98%
MDL No.MFCD27947500

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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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5-Bromo-1-chloro-3-fluoro-2-nitrobenzene|CS-0120125

Structure of 218797-71-8

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General Information

CAS No. 218797-71-8
Cat. No. CS-0120125
Purity ≥98%
MDL No. MFCD27947500
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₂BrClFNO₂
Molecular Weight 254.44
Synonym(s) 4-Bromo-2-chloro-6-fluoronitrobenzene
SMILES O=[N+](C1=C(F)C=C(Br)C=C1Cl)[O-]

Description

5-Bromo-1-chloro-3-fluoro-2-nitrobenzene is a multi-heteroatom-substituted aromatic building block featuring orthogonal reactivity. The electron-deficient ring enables direct functionalization via cross-coupling, while the nitro group serves as a synthetic handle for downstream transformations. This compound offers high stability under standard bench conditions and facilitates precise control in modular synthesis workflows.

Application

5-Bromo-1-chloro-3-fluoro-2-nitrobenzene serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling palladium-catalyzed cross-coupling reactions due to its complementary halogen reactivity profile. The ortho-nitro group facilitates subsequent reduction and functionalization, while the fluorine substituent enhances metabolic stability. Its bench-stable nature and compatibility with diverse transformations make it ideal for constructing complex heterocyclic scaffolds and multi-functionalized aryl intermediates.

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS06
Signal Word : Danger	UN#: 2810
Class : 6.1	Packing Group : Ⅲ
Hazard Statements : H301+H311+H331
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-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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5-Bromo-1-chloro-3-fluoro-2-nitrobenzene

CAS No. 218797-71-8

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