(S)-4-(1-Amino-2,2,2-trifluoroethyl)benzonitrile hydrochloride

Name: (S)-4-(1-Amino-2,2,2-trifluoroethyl)benzonitrile hydrochloride
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CAS No. 943731-61-1
Cat. No. CS-0198296
Purity≥97%
MDL No.None

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(S)-4-(1-Amino-2,2,2-trifluoroethyl)benzonitrile hydrochloride|CS-0198296

Structure of 943731-61-1

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Description

This chiral benzonitrile derivative features a trifluoromethylated amino side chain, offering enhanced metabolic stability and lipophilicity. The hydrochloride salt form improves solubility and handling, enabling efficient incorporation into medicinal chemistry campaigns targeting CNS-penetrant molecules or fluorinated bioactive scaffolds.

Application

(S)-4-(1-Amino-2,2,2-trifluoroethyl)benzonitrile hydrochloride serves as a versatile chiral building block in medicinal chemistry, enabling the construction of trifluoromethylated aromatic amine scaffolds. Its benzonitrile group supports diverse transformations including nucleophilic additions and coupling reactions, while the protonated amine enhances solubility and purification compatibility. The stereochemical integrity of the (S)-enantiomer is retained under standard synthetic conditions, facilitating its use in asymmetric synthesis and target-oriented drug discovery workflows.

General Information

CAS No. 943731-61-1
Cat. No. CS-0198296
Purity ≥97%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₈ClF₃N₂
Molecular Weight 236.62
Synonym(s) 4-[(1S)-1-AMINO-2,2,2-TRIFLUOROETHYL]BENZONITRILE HYDROCHLORIDE
SMILES [H]Cl.N#CC1=CC=C(C=C1)[C@H](N)C(F)(F)F

Computational Chemistry Data

TPSA 49.81
LogP 2.54218
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 1

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

Quality Control

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Other Classifications

Building Blocks Functional Group Fluoride

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Building Blocks Skeleton Chiral compounds Chiral Building Blocks

Key Words

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(S)-4-(1-Amino-2,2,2-trifluoroethyl)benzonitrile hydrochloride

CAS No. 943731-61-1

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