2-Chloro-1,3-difluoro-4-nitrobenzene

Name: 2-Chloro-1,3-difluoro-4-nitrobenzene
Brand: ChemScene
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CAS No. 3847-58-3
Cat. No. CS-W010675
Purity≥97%
MDL No.MFCD00042201

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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-Chloro-1,3-difluoro-4-nitrobenzene|CS-W010675

Structure of 3847-58-3

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General Information

CAS No. 3847-58-3
Cat. No. CS-W010675
Purity ≥97%
MDL No. MFCD00042201
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₂ClF₂NO₂
Molecular Weight None
Synonym(s) 3-Chloro-2,4-difluoronitrobenzene
SMILES O=[N+](C1=CC=C(F)C(Cl)=C1F)[O-]

Description

2-Chloro-1,3-difluoro-4-nitrobenzene features a highly electron-deficient aromatic core enabling efficient coupling in cross-coupling reactions. The strategic placement of chlorine and fluorine substituents facilitates selective functionalization, while the nitro group enhances reactivity in nucleophilic substitution processes. This compound serves as a robust building block for advanced pharmaceutical intermediates and specialty materials.

Application

2-Chloro-1,3-difluoro-4-nitrobenzene serves as a versatile electrophilic building block in aromatic substitution reactions, enabling efficient construction of complex heterocyclic scaffolds. Its orthogonal halogenation pattern facilitates sequential cross-coupling processes, while the nitro group provides a handle for downstream reduction and functionalization. Bench-stable and compatible with Pd-catalyzed transformations, it offers predictable reactivity in medicinal chemistry and materials synthesis workflows.

Synthesis

Route1
- In-stock
  
  17700-09-3
- ~%
- In-stock
  
  3847-58-3
References
- Finger; Kruse Journal of the American Chemical Society, 1956 , vol. 78, p. 6034,6037

Safety Information

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GHS Pictogram :	GHS No : GHS05,GHS06
Signal Word : Danger	UN#: 2923
Class : 8(6.1)	Packing Group : Ⅲ
Hazard Statements : H301-H311-H314-H331
Precautionary Statements : P260-P261-P264-P270-P271-P280-P301+P330+P331-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P330-P361+P364-P363-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 43.14
LogP 2.5264
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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2-Chloro-1,3-difluoro-4-nitrobenzene

CAS No. 3847-58-3

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