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

Name: 5-Bromo-1,2-difluoro-3-nitrobenzene
Brand: ChemScene
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CAS No. 1261988-16-2
Cat. No. CS-W006755
Purity≥97%
MDL No.None

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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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5-Bromo-1,2-difluoro-3-nitrobenzene|CS-W006755

Structure of 1261988-16-2

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General Information

CAS No. 1261988-16-2
Cat. No. CS-W006755
Purity ≥97%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₂BrF₂NO₂
Molecular Weight 237.99
Synonym(s) None
SMILES O=[N+](C1=C(F)C(F)=CC(Br)=C1)[O-]

Description

5-Bromo-1,2-difluoro-3-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 groups offer complementary handles for cross-coupling and fluorination processes. This compound serves as a key intermediate in the synthesis of bioactive molecules and advanced materials.

Application

5-Bromo-1,2-difluoro-3-nitrobenzene serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling palladium-catalyzed cross-coupling reactions due to its well-defined halogen reactivity. The ortho-fluoro substitution enhances metabolic stability, while the nitro group provides a handle for selective reduction or further functionalization. Bench-stable and readily purified, it facilitates efficient access to complex heterocyclic scaffolds and substituted aromatic systems in multi-step syntheses.

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

CAS No. 1261988-16-2

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