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

Name: 1-Bromo-2-fluoro-5-methyl-4-nitrobenzene
Brand: ChemScene
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CAS No. 948294-26-6
Cat. No. CS-0052592
Purity≥98%
MDL No.None

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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1-Bromo-2-fluoro-5-methyl-4-nitrobenzene|CS-0052592

Structure of 948294-26-6

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General Information

CAS No. 948294-26-6
Cat. No. CS-0052592
Purity ≥98%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₅BrFNO₂
Molecular Weight 234.02
Synonym(s) 5-Bromo-4-fluoro-2-nitrotoluene
SMILES CC1=CC(Br)=C(F)C=C1[N+]([O-])=O

Description

1-Bromo-2-fluoro-5-methyl-4-nitrobenzene features a densely functionalized aromatic core with orthogonal reactivity. The bromo and fluoro substituents enable palladium-catalyzed cross-coupling, while the nitro group serves as a strong electron-withdrawing anchor. This molecule integrates readily into complex molecular architectures under standard conditions.

Application

1-Bromo-2-fluoro-5-methyl-4-nitrobenzene serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling palladium-catalyzed cross-coupling reactions due to its complementary halogen reactivity. The bromo group facilitates efficient C–C bond formation, while the fluorine and nitro groups provide orthogonal functional handles for further derivatization. Its bench-stable nature and compatibility with standard reaction conditions make it well-suited for multi-step syntheses of complex heterocyclic scaffolds and API intermediates.

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-P405-P501

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Computational Chemistry Data

TPSA 43.14
LogP 2.80482
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 1

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-5-methyl-4-nitrobenzene

CAS No. 948294-26-6

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