(S)-1-(3,5-difluorophenyl)ethan-1-amine hydrochloride

Name: (S)-1-(3,5-difluorophenyl)ethan-1-amine hydrochloride
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CAS No. 1213128-98-3
Cat. No. CS-0032768
Purity≥97%
MDL No.MFCD11101247

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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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(S)-1-(3,5-difluorophenyl)ethan-1-amine hydrochloride|CS-0032768

Structure of 1213128-98-3

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General Information

CAS No. 1213128-98-3
Cat. No. CS-0032768
Purity ≥97%
MDL No. MFCD11101247
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₁₀ClF₂N
Molecular Weight 193.62
Synonym(s) (S)-1-(3,5-DIFLUOROPHENYL)ETHANAMINE-HCl
SMILES FC1=CC(F)=CC([C@H](C)N)=C1.[H]Cl

Description

(S)-1-(3,5-difluorophenyl)ethan-1-amine hydrochloride is a chiral amine featuring a sterically constrained benzylic center and two electron-withdrawing fluorine atoms at the meta and para positions. This configuration imparts enhanced metabolic stability and favorable binding affinity in asymmetric synthesis. The hydrochloride salt form ensures excellent solubility and shelf-life under standard laboratory conditions, facilitating direct use in catalytic reactions and pharmaceutical intermediate construction.

Application

(S)-1-(3,5-Difluorophenyl)ethan-1-amine hydrochloride serves as a chiral building block for the synthesis of bioactive molecules, particularly in medicinal chemistry and agrochemical research. Its bench-stable hydrochloride salt form facilitates handling and purification, while the (S)-configured chiral center enables stereoselective transformations. The 3,5-difluorophenyl moiety provides enhanced metabolic stability and favorable lipophilicity, making this compound a practical scaffold for constructing diverse heterocyclic systems and pharmaceutical intermediates via standard amine functionalization.

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

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Computational Chemistry Data

TPSA 26.02
LogP 2.4063
H_Acceptors 1
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Fluoride

Building Blocks Skeleton Chiral compounds Chiral Building Blocks

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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(S)-1-(3,5-difluorophenyl)ethan-1-amine hydrochloride

CAS No. 1213128-98-3

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