2-Chloro-4-(Trifluoromethyl)phenylboronic acid

Name: 2-Chloro-4-(Trifluoromethyl)phenylboronic acid
Brand: ChemScene
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CAS No. 254993-59-4
Cat. No. CS-W020413
Molecule weight224.37
Purity≥98%
MDL No.MFCD02684337

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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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-Chloro-4-(Trifluoromethyl)phenylboronic acid|CS-W020413

Structure of 254993-59-4

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General Information

CAS No. 254993-59-4
Cat. No. CS-W020413
Purity ≥98%
MDL No. MFCD02684337
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₅BClF₃O₂
Molecular Weight 224.37
Synonym(s) 2-Chloro-4-trifluoromethylphenylboronic acid; 2-Chloro-4-(trifluoromethyl)phenylboronic acid
SMILES FC(C1=CC=C(B(O)O)C(Cl)=C1)(F)F

Description

2-Chloro-4-(trifluoromethyl)phenylboronic acid features a boronate moiety paired with electron-withdrawing chlorine and trifluoromethyl groups, enhancing its stability and reactivity in Suzuki-Miyaura couplings. This bench-stable reagent integrates efficiently into C–C bond formation under standard conditions, enabling precise functionalization of aryl targets in medicinal chemistry and materials synthesis.

Application

2-Chloro-4-(trifluoromethyl)phenylboronic acid serves as a versatile building block in Suzuki-Miyaura cross-coupling reactions, enabling efficient C–C bond formation with aryl and vinyl halides. The ortho-chloro substituent provides enhanced stability and facilitates downstream functionalization, while the trifluoromethyl group imparts favorable electronic and metabolic properties. Its bench-stable nature and compatibility with diverse reaction conditions make it well-suited for medicinal chemistry and process development workflows.

Safety Information

Download SDS

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 40.46
LogP 1.0386
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

Key Words

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2-Chloro-4-(Trifluoromethyl)phenylboronic acid

CAS No. 254993-59-4

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