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

Name: 1-Bromo-5-fluoro-2-methyl-4-nitrobenzene
Brand: ChemScene
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CAS No. 64695-96-1
Cat. No. CS-0099493
Purity≥98%
MDL No.None

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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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1-Bromo-5-fluoro-2-methyl-4-nitrobenzene|CS-0099493

Structure of 64695-96-1

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Description

1-Bromo-5-fluoro-2-methyl-4-nitrobenzene features a trifunctional aromatic core with complementary reactivity. The bromo group enables palladium-catalyzed cross-coupling, while the para-nitro and ortho-fluoro substituents enhance electrophilicity for nucleophilic substitution. This electron-deficient scaffold supports modular synthesis in medicinal chemistry and agrochemical development.

Application

1-Bromo-5-fluoro-2-methyl-4-nitrobenzene serves as a versatile building block in medicinal chemistry and materials science, enabling palladium-catalyzed cross-coupling reactions due to its orthogonal halogen reactivity. The bromine center facilitates efficient Suzuki, Stille, and Negishi couplings, while the fluorine and nitro groups provide complementary sites for further functionalization. Its bench-stable nature and high purity support reliable scale-up in API and heterocyclic scaffold synthesis.

General Information

CAS No. 64695-96-1
Cat. No. CS-0099493
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) 2-BroMo-4-fluoro-5-nitrotoluene
SMILES O=[N+]([O-])C1=C(C=C(C(C)=C1)Br)F

Computational Chemistry Data

TPSA 43.14
LogP 2.80482
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 1

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

Quality Control

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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-5-fluoro-2-methyl-4-nitrobenzene

CAS No. 64695-96-1

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