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

Name: 1,5-Difluoro-2-methoxy-4-nitrobenzene
Brand: ChemScene
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CAS No. 179011-39-3
Cat. No. CS-0103692
Purity≥97%
MDL No.MFCD08689675

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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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1,5-Difluoro-2-methoxy-4-nitrobenzene|CS-0103692

Structure of 179011-39-3

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General Information

CAS No. 179011-39-3
Cat. No. CS-0103692
Purity ≥97%
MDL No. MFCD08689675
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₅F₂NO₃
Molecular Weight 189.12
Synonym(s) 2,4-difluoro-5-methoxy-1-nitrobenzene
SMILES O=[N+](C1=C(F)C=C(F)C(OC)=C1)[O-]

Description

1,5-Difluoro-2-methoxy-4-nitrobenzene features a highly activated aromatic core with orthogonal electron-withdrawing groups: two fluorine atoms at positions 1 and 5, a methoxy group at position 2, and a nitro group at position 4. This combination enables efficient coupling reactions under mild conditions, particularly in nucleophilic aromatic substitution workflows. The molecule exhibits enhanced stability and solubility in common organic solvents, facilitating handling during synthesis and purification. Its defined regiochemistry supports precise molecular construction in complex target architectures.

Application

1,5-Difluoro-2-methoxy-4-nitrobenzene serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling selective nucleophilic aromatic substitution reactions due to its electron-deficient aryl framework. The ortho-fluorine positions facilitate efficient coupling with amines and thiols under mild conditions, while the methoxy and nitro groups provide orthogonal handles for further functionalization. Bench-stable and readily purified by flash chromatography, it functions reliably in multi-step synthetic sequences requiring high regiocontrol and compatibility with diverse reaction conditions.

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 52.37
LogP 1.8816
H_Acceptors 3
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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1,5-Difluoro-2-methoxy-4-nitrobenzene

CAS No. 179011-39-3

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