2-Chloro-5-(trifluoromethyl)benzo[d]oxazole

Name: 2-Chloro-5-(trifluoromethyl)benzo[d]oxazole
Brand: ChemScene
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CAS No. 114997-91-0
Cat. No. CS-0130170
Purity≥97%
MDL No.None

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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2-Chloro-5-(trifluoromethyl)benzo[d]oxazole|CS-0130170

Structure of 114997-91-0

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Description

2-Chloro-5-(trifluoromethyl)benzo[d]oxazole features a rigid heterocyclic core with orthogonal electron-withdrawing groups: a chloro substituent at C2 and a trifluoromethyl group at C5. This combination imparts enhanced stability and modulates electronic properties, making it valuable for constructing complex aromatic scaffolds in medicinal chemistry and materials science applications.

Application

2-Chloro-5-(trifluoromethyl)benzo[d]oxazole serves as a versatile heterocyclic building block in medicinal chemistry and materials science. Its electron-deficient aryl chloride enables palladium-catalyzed cross-coupling reactions with broad functional group tolerance. The trifluoromethyl group enhances metabolic stability and lipophilicity, while the benzo[d]oxazole core provides rigidity and improved binding affinity in target-directed synthesis. Bench-stable and readily purified by chromatography, it facilitates efficient access to complex scaffolds in API development.

General Information

CAS No. 114997-91-0
Cat. No. CS-0130170
Purity ≥97%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₃ClF₃NO
Molecular Weight 221.56
Synonym(s) 2-Chloro-5-(trifluoromethyl)-1,3-benzoxazole
SMILES FC(C1=CC=C(OC(Cl)=N2)C2=C1)(F)F

Computational Chemistry Data

TPSA 26.03
LogP 3.5
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 0

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 : P233-P260-P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362-P405-P501

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Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Skeleton Aromatic heterocycle compounds Benzooxazole compounds

Key Words

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2-Chloro-5-(trifluoromethyl)benzo[d]oxazole

CAS No. 114997-91-0

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