2-Bromo-5-hydroxybenzotrifluoride

Name: 2-Bromo-5-hydroxybenzotrifluoride
Brand: ChemScene
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CAS No. 320-49-0
Cat. No. CS-W014655
Purity≥98%
MDL No.MFCD03095342

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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+
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2-Bromo-5-hydroxybenzotrifluoride|CS-W014655

Structure of 320-49-0

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General Information

CAS No. 320-49-0
Cat. No. CS-W014655
Purity ≥98%
MDL No. MFCD03095342
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₄BrF₃O
Molecular Weight 241.01
Synonym(s) 4-Bromo-3-(trifluoromethyl)phenol
SMILES FC(F)(F)C1=CC(O)=CC=C1Br

Description

2-Bromo-5-hydroxybenzotrifluoride features a trifluoromethyl group flanked by bromo and hydroxyl substituents, enabling direct functionalization in late-stage synthesis. This electron-deficient aryl scaffold supports palladium-catalyzed cross-coupling and facilitates incorporation into bioactive molecules requiring fluorinated aromatic motifs.

Application

2-Bromo-5-hydroxybenzotrifluoride serves as a versatile building block for the synthesis of fluorinated aromatic scaffolds, enabling direct coupling reactions via its bromine and hydroxyl functionalities. The trifluoromethyl group enhances metabolic stability and lipophilicity, while the ortho-hydroxybromide arrangement facilitates sequential functionalization in medicinal chemistry and materials science applications. Its bench-stable nature supports reliable handling and purification in multi-step syntheses.

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 20.23
LogP 3.1735
H_Acceptors 1
H_Donors 1
Rotatable_Bonds 0

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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2-Bromo-5-hydroxybenzotrifluoride

CAS No. 320-49-0

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