1-Bromo-3,4-difluoro-2-nitrobenzene

Name: 1-Bromo-3,4-difluoro-2-nitrobenzene
Brand: ChemScene
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CAS No. 884495-47-0
Cat. No. CS-0146382
Purity≥98%
MDL No.MFCD03840797

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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-3,4-difluoro-2-nitrobenzene|CS-0146382

Structure of 884495-47-0

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General Information

CAS No. 884495-47-0
Cat. No. CS-0146382
Purity ≥98%
MDL No. MFCD03840797
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₂BrF₂NO₂
Molecular Weight 237.99
Synonym(s) 2-NITRO-3,4-DIFLUORO BROMOBENZENE
SMILES O=[N+](C1=C(F)C(F)=CC=C1Br)[O-]

Description

1-Bromo-3,4-difluoro-2-nitrobenzene features a trifunctional aromatic core with orthogonal reactivity, enabling sequential coupling in late-stage functionalization. The electron-deficient ring facilitates nucleophilic substitution, while the bromo and nitro groups serve as key handles for cross-coupling and reduction sequences. This scaffold delivers high stability under standard conditions and exhibits excellent solubility in common organic solvents.

Application

1-Bromo-3,4-difluoro-2-nitrobenzene serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling palladium-catalyzed cross-coupling reactions due to its activated aryl bromide functionality. The ortho-nitro group enhances reactivity in nucleophilic aromatic substitution, while the difluoro substituents provide metabolic stability and modulate electronic properties. Bench-stable and compatible with standard purification methods, it facilitates efficient construction of complex heterocyclic scaffolds and functionalized biaryls in multi-step synthesis.

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-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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Computational Chemistry Data

TPSA 43.14
LogP 2.6355
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-3,4-difluoro-2-nitrobenzene

CAS No. 884495-47-0

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