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

CAS No. 1420800-30-1
Cat. No. CS-0088934
Purity≥97%
MDL No.None

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Type	HazMat Fee
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FedEx Limited Quantities Ground	$0.00
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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1-Bromo-2,4-difluoro-3-nitrobenzene|CS-0088934

Structure of 1420800-30-1

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Description

1-Bromo-2,4-difluoro-3-nitrobenzene features a trifunctional aromatic core with orthogonal reactivity, enabling selective coupling in late-stage diversification. The electron-deficient ring facilitates nucleophilic substitution, while the bromo and fluoro handles support palladium-catalyzed cross-coupling. This compound exhibits bench-stable handling characteristics under standard conditions.

Application

1-Bromo-2,4-difluoro-3-nitrobenzene serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling palladium-catalyzed cross-coupling reactions due to its orthogonal reactivity profile. The bromine center facilitates C–C bond formation under standard Suzuki, Stille, or Negishi conditions, while the difluoro substitution enhances metabolic stability and modulates electronic properties. Its nitro group provides a handle for subsequent reduction and functionalization. The compound exhibits excellent bench stability and is readily purified by flash chromatography, making it well-suited for scalable synthetic workflows.

General Information

CAS No. 1420800-30-1
Cat. No. CS-0088934
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(Br)=CC=C1F)[O-]

Computational Chemistry Data

TPSA 43.14
LogP 2.6355
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 1

Safety Information

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GHS Pictogram :	GHS No : GHS06
Signal Word : Danger	UN#: 2810
Class : 6.1	Packing Group : Ⅲ
Hazard Statements : H301-H311-H331
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361-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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1-Bromo-2,4-difluoro-3-nitrobenzene

CAS No. 1420800-30-1

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