1,2-Difluoro-4-methoxy-5-nitrobenzene

Name: 1,2-Difluoro-4-methoxy-5-nitrobenzene
Brand: ChemScene
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CAS No. 66684-64-8
Cat. No. CS-0210569
Purity≥95%
MDL No.MFCD11040445

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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-methoxy-5-nitrobenzene|CS-0210569

Structure of 66684-64-8

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Description

1,2-Difluoro-4-methoxy-5-nitrobenzene features a highly electron-deficient aromatic core with orthogonal fluorine and nitro substituents enabling selective coupling reactions. The methoxy group enhances solubility and modulates reactivity, while the geminal difluoro motif facilitates transition-metal-catalyzed cross-coupling under standard conditions. This compound serves as a robust building block for advanced pharmaceutical intermediates and functional materials.

Application

1,2-Difluoro-4-methoxy-5-nitrobenzene serves as a versatile building block in medicinal chemistry, enabling palladium-catalyzed cross-coupling reactions due to its orthogonal reactivity of fluorine and nitro groups. The methoxy substituent enhances solubility and modulates electronic properties, while the nitro group facilitates downstream reduction or nucleophilic substitution. Bench-stable and compatible with standard synthetic workflows, it functions effectively in the construction of complex heterocyclic scaffolds and bioactive molecules.

General Information

CAS No. 66684-64-8
Cat. No. CS-0210569
Purity ≥95%
MDL No. MFCD11040445
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₅F₂NO₃
Molecular Weight None
Synonym(s) 3,4-Difluoro-6-Nitroanisole
SMILES COC1=C(C=C(C(=C1)F)F)[N+](=O)[O-]

Computational Chemistry Data

TPSA 52.37
LogP 1.8816
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 2

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-H315-H319-H332-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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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-methoxy-5-nitrobenzene

CAS No. 66684-64-8

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