2-Bromo-1-fluoro-3-nitrobenzene

Name: 2-Bromo-1-fluoro-3-nitrobenzene
Brand: ChemScene
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CAS No. 59255-94-6
Cat. No. CS-0060301
Purity≥97%
MDL No.MFCD07782080

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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+
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2-Bromo-1-fluoro-3-nitrobenzene|CS-0060301

Structure of 59255-94-6

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Description

2-Bromo-1-fluoro-3-nitrobenzene features a trifunctional aryl scaffold with complementary reactivity. The ortho-bromine enables palladium-catalyzed cross-coupling, while the para-nitro group offers a handle for selective reduction or nucleophilic substitution. This electron-deficient platform integrates seamlessly into complex molecular architectures under standard conditions.

Application

2-Bromo-1-fluoro-3-nitrobenzene serves as a versatile building block in cross-coupling chemistry, enabling the synthesis of substituted biaryls and heterocycles under palladium catalysis. The ortho-bromo and meta-nitro groups provide orthogonal reactivity, facilitating sequential functionalization. Its stability under standard reaction conditions and compatibility with diverse coupling partners make it well-suited for medicinal chemistry and process development workflows.

General Information

CAS No. 59255-94-6
Cat. No. CS-0060301
Purity ≥97%
MDL No. MFCD07782080
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₃BrFNO₂
Molecular Weight 220.00
Synonym(s) 2-Bromo-3-fluoronitrobenzene
SMILES C1=CC(=C(C(=C1)[N+](=O)[O-])Br)F

Computational Chemistry Data

TPSA 43.14
LogP 2.4964
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-P330-P362+P364-P405-P501

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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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2-Bromo-1-fluoro-3-nitrobenzene

CAS No. 59255-94-6

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