Rufinamide impurity 2

Name: Rufinamide impurity 2
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CAS No. 166196-11-8
Cat. No. CS-0084014
Purity≥98%
MDL No.MFCD09955379

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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 166196-11-8

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General Information

CAS No. 166196-11-8
Cat. No. CS-0084014
Purity ≥98%
MDL No. MFCD09955379
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₇F₂N₃O₂
Molecular Weight 239.18
Synonym(s) None
SMILES O=C(O)C=1N=NN(C1)CC=2C(F)=CC=CC2F

Description

This triazole carboxylic acid integrates a 2,6-difluorobenzyl group to enhance lipophilicity and metabolic stability. The electron-deficient triazole ring enables efficient coupling in bioconjugation workflows, while the carboxylic acid facilitates direct derivatization or salt formation under standard conditions.

Application

1-(2,6-Difluorobenzyl)-1H-1,2,3-triazole-4-carboxylic acid serves as a versatile building block for medicinal chemistry campaigns, enabling efficient access to triazole-linked bioactive scaffolds. The difluorophenyl group enhances metabolic stability and modulates lipophilicity, while the carboxylic acid functionality facilitates conjugation via amide bond formation or esterification. Bench-stable and compatible with standard coupling protocols, it functions effectively in solid-phase synthesis and parallel library construction.

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 68.01
LogP 1.3028
H_Acceptors 4
H_Donors 1
Rotatable_Bonds 3

Other Classifications

Building Blocks Functional Group Fluoride

Building Blocks Functional Group Carboxylic Acid

Building Blocks Skeleton Aromatic heterocycle compounds Triazole compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

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Rufinamide impurity 2

CAS No. 166196-11-8

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