5-Bromo-2-iodobenzotrifluoride

Name: 5-Bromo-2-iodobenzotrifluoride
Brand: ChemScene
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CAS No. 364-12-5
Cat. No. CS-0040983
Purity≥98%
MDL No.MFCD00672935

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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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5-Bromo-2-iodobenzotrifluoride|CS-0040983

Structure of 364-12-5

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General Information

CAS No. 364-12-5
Cat. No. CS-0040983
Purity ≥98%
MDL No. MFCD00672935
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₃BrF₃I
Molecular Weight 350.90
Synonym(s) Benzene,4-bromo-1-iodo-2-(trifluoromethyl)-
SMILES FC(C1=CC(Br)=CC=C1I)(F)F

Description

5-Bromo-2-iodobenzotrifluoride delivers a dual halogen handle for cross-coupling, combining a bromine at the meta position with an iodine at the ortho site relative to the trifluoromethyl group. This arrangement enables sequential functionalization under orthogonal reaction conditions. The molecule exhibits enhanced stability and solubility in common organic solvents, facilitating handling in synthetic workflows.

Application

5-Bromo-2-iodobenzotrifluoride serves as a versatile dihalogenated building block for palladium-catalyzed cross-coupling reactions. The ortho-bromo and iodo substituents enable sequential functionalization, while the trifluoromethyl group imparts enhanced metabolic stability and lipophilicity—key attributes in medicinal chemistry scaffolds. Bench-stable and compatible with standard coupling protocols, it facilitates efficient access to complex fluorinated biaryls and heterocycles.

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

Quality Control

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Computational Chemistry Data

TPSA 0
LogP 4.0725
H_Acceptors 0
H_Donors 0
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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5-Bromo-2-iodobenzotrifluoride

CAS No. 364-12-5

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