Canagliflozin impurity 17

Name: Canagliflozin impurity 17
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CAS No. 871035-64-2
Cat. No. CS-W021401
Molecule weight251.03
Purity≥96%
MDL No.MFCD11847567

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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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Structure of 871035-64-2

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General Information

CAS No. 871035-64-2
Cat. No. CS-W021401
Purity ≥96%
MDL No. MFCD11847567
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₅BrF₂O₂
Molecular Weight 251.03
Synonym(s) None
SMILES O=C(O)CC1=CC(F)=C(Br)C=C1F

Description

This acetic acid derivative features a brominated and difluorinated phenyl ring, delivering enhanced electronic modulation and metabolic stability. The ortho-bromo and para-fluoro substitutions enable efficient coupling in cross-coupling reactions. Its bench-stable nature supports reliable handling in synthetic workflows requiring electron-deficient aryl building blocks.

Application

2-(4-Bromo-2,5-difluorophenyl)acetic acid serves as a versatile building block for pharmaceutical intermediates, enabling efficient incorporation of bromo- and difluorophenyl motifs into target molecules. Its carboxylic acid functionality facilitates direct coupling reactions, while the ortho-fluorine atoms enhance metabolic stability and modulate electronic properties. Bench-stable and amenable to standard purification methods, it functions reliably in Suzuki-Miyaura, Stille, and Buchwald-Hartwig cross-coupling workflows.

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 37.3
LogP 2.3544
H_Acceptors 1
H_Donors 1
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Carboxylic Acid

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

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Canagliflozin impurity 17

CAS No. 871035-64-2

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