(5-Chloro-2-fluoro-4-methylphenyl)boronic acid

Name: (5-Chloro-2-fluoro-4-methylphenyl)boronic acid
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CAS No. 1072952-42-1
Cat. No. CS-0174906
Molecule weight188.39
Purity≥98%
MDL No.None

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(5-Chloro-2-fluoro-4-methylphenyl)boronic acid|CS-0174906

Structure of 1072952-42-1

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General Information

CAS No. 1072952-42-1
Cat. No. CS-0174906
Purity ≥98%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₇BClFO₂
Molecular Weight 188.39
Synonym(s) 5-CHLORO-2-FLUORO-4-METHYLPHENYLBORONIC ACID
SMILES CC1=C(Cl)C=C(B(O)O)C(F)=C1

Description

This boronic acid features a chloro, fluoro, and methyl substituent on the phenyl ring, enabling selective cross-coupling in complex molecule synthesis. The electron-deficient aryl moiety enhances reactivity in Suzuki-Miyaura reactions, while the sterically accessible boronate group ensures efficient coupling under standard conditions.

Application

(5-Chloro-2-fluoro-4-methylphenyl)boronic acid serves as a versatile building block in palladium-catalyzed cross-coupling reactions, enabling efficient construction of biaryl and heteroaryl scaffolds. Its stability under ambient conditions and compatibility with diverse functional groups facilitate straightforward purification and integration into complex molecular architectures relevant to medicinal chemistry and materials science.

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 : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362-P405-P501

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Computational Chemistry Data

TPSA 40.46
LogP 0.46732
H_Acceptors 2
H_Donors 2
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Functional Group Boronic Acid And Its Ester

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

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(5-Chloro-2-fluoro-4-methylphenyl)boronic acid

CAS No. 1072952-42-1

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