1-(2-Bromophenyl)-2,2,2-trifluoroethanol

Name: 1-(2-Bromophenyl)-2,2,2-trifluoroethanol
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 394203-55-5
Cat. No. CS-0156702
Purity≥98%
MDL No.MFCD16067936

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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-(2-Bromophenyl)-2,2,2-trifluoroethanol|CS-0156702

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General Information

CAS No. 394203-55-5
Cat. No. CS-0156702
Purity ≥98%
MDL No. MFCD16067936
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₆BrF₃O
Molecular Weight 255.03
Synonym(s) R-1-(2-bromo-phenyl)-2,2,2-trifluoro-ethanol
SMILES C1=CC=C(C(=C1)C(C(F)(F)F)O)Br

Description

1-(2-Bromophenyl)-2,2,2-trifluoroethanol features a brominated aromatic ring paired with a trifluoromethyl-bearing alcohol, delivering enhanced lipophilicity and metabolic stability. This combination enables direct incorporation into bioactive scaffolds, particularly in medicinal chemistry campaigns targeting CNS-penetrant molecules. The molecule exhibits excellent handling stability under standard conditions and serves as a robust building block for further functionalization via cross-coupling or oxidation.

Application

1-(2-Bromophenyl)-2,2,2-trifluoroethanol serves as a versatile building block in synthetic organic chemistry, enabling efficient construction of biaryl and heterocyclic scaffolds. Its brominated aryl group facilitates palladium-catalyzed coupling reactions, while the trifluoromethylated alcohol moiety provides enhanced metabolic stability and modulates lipophilicity. The compound exhibits good bench stability and is compatible with standard purification protocols, making it well-suited for medicinal chemistry campaigns and process development.

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 20.23
LogP 3.0448
H_Acceptors 1
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Fluoride

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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1-(2-Bromophenyl)-2,2,2-trifluoroethanol

CAS No. 394203-55-5

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