1-Bromo-2-fluoro-4-methoxy-5-nitrobenzene

Name: 1-Bromo-2-fluoro-4-methoxy-5-nitrobenzene
Brand: ChemScene
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CAS No. 1352244-77-9
Cat. No. CS-0041445
Purity≥97%
MDL No.MFCD11847609

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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-Bromo-2-fluoro-4-methoxy-5-nitrobenzene|CS-0041445

Structure of 1352244-77-9

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General Information

CAS No. 1352244-77-9
Cat. No. CS-0041445
Purity ≥97%
MDL No. MFCD11847609
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₅BrFNO₃
Molecular Weight 250.02
Synonym(s) 4-Bromo-5-fluoro-2-nitroanisole
SMILES COC1=CC(F)=C(Br)C=C1[N+]([O-])=O

Description

1-Bromo-2-fluoro-4-methoxy-5-nitrobenzene features a strategically positioned nitro group and methoxy substituent that enhance electrophilic reactivity, enabling efficient coupling in cross-coupling protocols. The fluorine atom facilitates selective functionalization, while the bromide serves as a reliable handle for palladium-catalyzed transformations under standard conditions.

Application

1-Bromo-2-fluoro-4-methoxy-5-nitrobenzene serves as a versatile building block in medicinal chemistry and materials synthesis, enabling palladium-catalyzed cross-coupling reactions due to its ortho-fluoro and bromo substituents. The methoxy and nitro groups provide complementary reactivity for further functionalization, while the molecule exhibits good bench stability and facilitates efficient purification. Its defined substitution pattern supports predictable regioselective transformations in complex scaffold construction.

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 2.505
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Nitro compounds

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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1-Bromo-2-fluoro-4-methoxy-5-nitrobenzene

CAS No. 1352244-77-9

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