2-(Trifluoromethyl)-1H-benzo[d]imidazole

Name: 2-(Trifluoromethyl)-1H-benzo[d]imidazole
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CAS No. 312-73-2
Cat. No. CS-W023169
Purity≥98%
MDL No.MFCD00022675

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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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2-(Trifluoromethyl)-1H-benzo[d]imidazole|CS-W023169

Structure of 312-73-2

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Description

2-(Trifluoromethyl)-1H-benzo[d]imidazole features a trifluoromethyl group at the 2-position, conferring enhanced electron-withdrawing character and metabolic stability. This aromatic heterocycle integrates readily into bioactive scaffolds, offering improved lipophilicity and membrane permeability for medicinal chemistry applications.

Application

2-(Trifluoromethyl)-1H-benzo[d]imidazole serves as a versatile heterocyclic building block in medicinal chemistry, offering enhanced metabolic stability and lipophilicity due to the trifluoromethyl group. It functions as a key scaffold in the synthesis of bioactive molecules, particularly in kinase inhibitors and CNS-targeted compounds. The compound exhibits good bench stability, moderate solubility, and compatibility with standard coupling reactions, enabling efficient functionalization at multiple sites for downstream derivatization.

General Information

CAS No. 312-73-2
Cat. No. CS-W023169
Purity ≥98%
MDL No. MFCD00022675
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₅F₃N₂
Molecular Weight 186.13
Synonym(s) 2-(Trifluoromethyl)-1H-benzimidazole; 2-(Trifluoromethyl)benzimidazole; NSC 512765; NSC 97013; 3-TRIFLUOROMETHYL BENZIMIDAZOLE
SMILES FC(C1=NC2=CC=CC=C2N1)(F)F

Computational Chemistry Data

TPSA 28.68
LogP 2.5817
H_Acceptors 1
H_Donors 1
Rotatable_Bonds 0

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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Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Benzimidazole compounds

Key Words

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2-(Trifluoromethyl)-1H-benzo[d]imidazole

CAS No. 312-73-2

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