1-Bromo-4-(difluoromethyl)benzene

Name: 1-Bromo-4-(difluoromethyl)benzene
Brand: ChemScene
Availability: InStock
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CAS No. 51776-71-7
Cat. No. CS-0068749
Purity≥98%
MDL No.MFCD06657964

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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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1-Bromo-4-(difluoromethyl)benzene|CS-0068749

Structure of 51776-71-7

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Description

1-Bromo-4-(difluoromethyl)benzene features a para-substituted aryl bromide with a difluoromethyl group enhancing electron-withdrawal and metabolic stability. This bench-stable, moisture-tolerant reagent integrates readily into cross-coupling reactions, enabling efficient construction of fluorinated aromatic architectures in medicinal chemistry and materials science.

Application

1-Bromo-4-(difluoromethyl)benzene serves as a versatile building block in medicinal chemistry and materials science, enabling direct introduction of a difluoromethyl group adjacent to a bromo-functionalized aromatic ring. Its bench-stable nature and compatibility with palladium-catalyzed cross-coupling reactions facilitate efficient synthesis of fluorinated biaryls and complex heterocycles. The difluoromethyl moiety offers enhanced metabolic stability and modulated lipophilicity, making this compound valuable for targeted scaffold elaboration in drug discovery workflows.

General Information

CAS No. 51776-71-7
Cat. No. CS-0068749
Purity ≥98%
MDL No. MFCD06657964
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₅BrF₂
Molecular Weight 207.02
Synonym(s) Benzene, 1-bromo-4-(difluoromethyl)-
SMILES FC(C1=CC=C(Br)C=C1)F

Computational Chemistry Data

TPSA 0
LogP 3.3867
H_Acceptors 0
H_Donors 0
Rotatable_Bonds 1

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS02
Signal Word : Danger	UN#: 1993
Class : 3	Packing Group : Ⅲ
Hazard Statements : H225-H315-H319-H335
Precautionary Statements : P210-P240-P242-P243-P261-P264-P270-P271-P280-P330-P370+P378-P501

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Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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1-Bromo-4-(difluoromethyl)benzene

CAS No. 51776-71-7

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