1,2-Dichloro-4-fluoro-5-nitrobenzene

Name: 1,2-Dichloro-4-fluoro-5-nitrobenzene
Brand: ChemScene
Availability: InStock
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CAS No. 2339-78-8
Cat. No. CS-W015130
Purity≥98%
MDL No.MFCD00075330

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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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1,2-Dichloro-4-fluoro-5-nitrobenzene|CS-W015130

Structure of 2339-78-8

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General Information

CAS No. 2339-78-8
Cat. No. CS-W015130
Purity ≥98%
MDL No. MFCD00075330
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₂Cl₂FNO₂
Molecular Weight 209.99
Synonym(s) 4-amino-5-fluoro-1-pentofuranosylpyrimidin-2(1H)-one
SMILES ClC1=CC(F)=C([N+]([O-])=O)C=C1Cl

Description

1,2-Dichloro-4-fluoro-5-nitrobenzene features a highly electron-deficient aromatic core with orthogonal halogen and nitro substituents, enabling selective cross-coupling and functional group interconversion under palladium catalysis. This bench-stable scaffold integrates seamlessly into complex molecular architectures for pharmaceutical intermediates and advanced materials synthesis.

Application

1,2-Dichloro-4-fluoro-5-nitrobenzene serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient construction of complex heterocyclic scaffolds via palladium-catalyzed cross-coupling reactions. The ortho-dichloro substitution pattern facilitates sequential functionalization, while the fluorine and nitro groups provide complementary reactivity for nucleophilic aromatic substitution and reduction strategies. Its bench-stable nature and compatibility with standard reaction conditions make it well-suited for modular synthesis workflows.

Synthesis

Route1
- In-stock
  
  1435-49-0
- ~%
- In-stock
  
  2339-78-8
References
- Journal of the American Chemical Society, , vol. 81, p. 94,95, 97
Route2
- 6306-39-4
- ~%
- In-stock
  
  2339-78-8
References
- Journal of Labelled Compounds and Radiopharmaceuticals, , vol. 42, # SUPPL. 1 p. S27-S29

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+H312+H332-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 3.0407
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Functional Group Nitro compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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1,2-Dichloro-4-fluoro-5-nitrobenzene

CAS No. 2339-78-8

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