4-Bromo-1-chloro-2-(difluoromethoxy)benzene

CAS No. 1000575-20-1
Cat. No. CS-0112694
Purity≥95%
MDL No.MFCD09878214

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4-Bromo-1-chloro-2-(difluoromethoxy)benzene|CS-0112694

Structure of 1000575-20-1

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General Information

CAS No. 1000575-20-1
Cat. No. CS-0112694
Purity ≥95%
MDL No. MFCD09878214
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₄BrClF₂O
Molecular Weight 257.46
Synonym(s) 4-bromofurfural diethyl acetal
SMILES FC(F)OC1=CC(Br)=CC=C1Cl

Description

4-Bromo-1-chloro-2-(difluoromethoxy)benzene is a fluorinated aromatic building block featuring orthogonal halogen handles and a difluoromethoxy substituent. This configuration enables selective cross-coupling reactions under standard conditions, with the electron-withdrawing difluoromethoxy group enhancing reactivity in palladium-catalyzed transformations. The molecule exhibits bench-stable handling characteristics and compatibility with diverse synthetic workflows.

Application

4-Bromo-1-chloro-2-(difluoromethoxy)benzene serves as a versatile building block in medicinal chemistry and materials synthesis, enabling palladium-catalyzed cross-coupling reactions due to its complementary halogen reactivity. The difluoromethoxy group enhances metabolic stability and modulates lipophilicity, while the ortho-chloro substituent provides site-specific functionalization potential. Bench-stable and compatible with standard reaction conditions, it facilitates efficient access to complex aromatic scaffolds.

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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Computational Chemistry Data

TPSA 9.23
LogP 3.7039
H_Acceptors 1
H_Donors 0
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Functional Group Ether

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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4-Bromo-1-chloro-2-(difluoromethoxy)benzene

CAS No. 1000575-20-1

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