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

Name: 2-Bromo-1,3-difluoro-4-nitrobenzene
Brand: ChemScene
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CAS No. 103977-78-2
Cat. No. CS-0054334
Molecule weight237.99
Purity≥98%
MDL No.MFCD12545882

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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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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2-Bromo-1,3-difluoro-4-nitrobenzene|CS-0054334

Structure of 103977-78-2

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General Information

CAS No. 103977-78-2
Cat. No. CS-0054334
Purity ≥98%
MDL No. MFCD12545882
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₂BrF₂NO₂
Molecular Weight 237.99
Synonym(s) Benzene,2-bromo-1,3-difluoro-4-nitro
SMILES O=[N+](C1=CC=C(F)C(Br)=C1F)[O-]

Description

2-Bromo-1,3-difluoro-4-nitrobenzene features a trifunctional aromatic core with orthogonal reactivity, enabling selective coupling in late-stage functionalization. The electron-deficient ring facilitates nucleophilic substitution, while the bromo and difluoro substituents offer complementary handles for cross-coupling and fluorination strategies. This compound serves as a robust scaffold for bioactive molecule synthesis under standard conditions.

Application

2-Bromo-1,3-difluoro-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 nitro group facilitates downstream functionalization via reduction or nucleophilic substitution, while the difluoro substituents enhance metabolic stability and modulate electronic properties. Its bench-stable nature and compatibility with standard synthetic workflows make it well-suited for multi-step synthesis of complex heterocycles 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-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 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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2-Bromo-1,3-difluoro-4-nitrobenzene

CAS No. 103977-78-2

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