1,2-difluoro-4,5- dinitrobenzene

Name: 1,2-difluoro-4,5- dinitrobenzene
Brand: ChemScene
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CAS No. 85686-97-1
Cat. No. CS-0147593
Purity≥98%
MDL No.None

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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-difluoro-4,5- dinitrobenzene|CS-0147593

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General Information

CAS No. 85686-97-1
Cat. No. CS-0147593
Purity ≥98%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₂F₂N₂O₄
Molecular Weight 204.09
Synonym(s) 1,2-Difluoro-4,5-dinitrobenzene
SMILES O=[N+](C1=C([N+]([O-])=O)C=C(F)C(F)=C1)[O-]

Description

1,2-difluoro-4,5-dinitrobenzene features a highly electron-deficient aromatic core, enabling efficient nucleophilic aromatic substitution reactions. The ortho-fluorine atoms facilitate sequential displacement under mild conditions, while the para-nitro groups enhance reactivity and stabilize intermediates. This compound serves as a robust building block for functionalized heterocycles and advanced materials synthesis.

Application

1,2-Difluoro-4,5-dinitrobenzene serves as a versatile electrophilic building block in nucleophilic aromatic substitution (SNAr) reactions, enabling efficient introduction of diverse amine and thiol functionalities under mild conditions. Its high reactivity stems from the synergistic electron-withdrawing effects of the dinitro and difluoro substituents, facilitating clean functionalization with excellent regiocontrol. The compound exhibits good bench stability and is readily purified by recrystallization, making it well-suited for use in the synthesis of complex heterocycles, pharmaceutical intermediates, and advanced materials.

Safety Information

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GHS Pictogram :	GHS No : GHS06
Signal Word : Danger	UN#: 2811
Class : 6.1	Packing Group : Ⅲ
Hazard Statements : H302-H315-H319-H341
Precautionary Statements : P264-P280-P501

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Computational Chemistry Data

TPSA 86.28
LogP 1.7812
H_Acceptors 4
H_Donors 0
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Nitro compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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1,2-difluoro-4,5- dinitrobenzene

CAS No. 85686-97-1

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