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

Name: 2-Bromo-3,4-difluoro-1-nitrobenzene
Brand: ChemScene
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CAS No. 350699-92-2
Cat. No. CS-W002826
Purity≥98%
MDL No.MFCD01820590

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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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2-Bromo-3,4-difluoro-1-nitrobenzene|CS-W002826

Structure of 350699-92-2

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General Information

CAS No. 350699-92-2
Cat. No. CS-W002826
Purity ≥98%
MDL No. MFCD01820590
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₂BrF₂NO₂
Molecular Weight 237.99
Synonym(s) 3-bromo-1,2-difluoro-4-nitrobenzene
SMILES O=[N+](C1=CC=C(F)C(F)=C1Br)[O-]

Description

2-Bromo-3,4-difluoro-1-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 fluoro groups offer complementary handles for cross-coupling. This compound delivers high regiocontrol in C–C bond formation under mild conditions.

Application

2-Bromo-3,4-difluoro-1-nitrobenzene serves as a versatile building block in medicinal chemistry and materials science, enabling palladium-catalyzed cross-coupling reactions due to its reactive bromine handle. The ortho-fluorine substituents enhance electrophilicity and facilitate subsequent nucleophilic aromatic substitution. Its stability under standard bench conditions and compatibility with diverse functional groups make it ideal for constructing complex heterocyclic scaffolds and API intermediates.

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

CAS No. 350699-92-2

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