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CS-W001157 4
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(αS)-3-Chloro-2-fluoro-α-methylbenzenemethanamine

  • CAS No. 1228561-56-5

  • Cat. No. CS-0651759
  • Molecule weight173.62
  • Purity≥97%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

(αS)-3-Chloro-2-fluoro-α-methylbenzenemethanamine|CS-0651759

Structure of 1228561-56-5

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General Information

  • CAS No. 1228561-56-5
  • Cat. No. CS-0651759
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₉ClFN
  • Molecular Weight 173.62
  • Synonym(s) None
  • SMILES C[C@@H](C1=C(C(Cl)=CC=C1)F)N

Description

(αS)-3-Chloro-2-fluoro-α-methylbenzenemethanamine features a chiral α-methyl group and ortho-halogen substitution, delivering enhanced metabolic stability and defined stereochemical control. This bench-stable arylalkylamine integrates readily into CNS-targeted pharmacophores, enabling precise modulation of receptor interactions in medicinal chemistry campaigns.

Application

(αS)-3-Chloro-2-fluoro-α-methylbenzenemethanamine serves as a chiral building block for the synthesis of bioactive compounds, enabling stereoselective incorporation of fluorinated aryl motifs. Its ortho-halogenated benzene core facilitates downstream coupling reactions, while the α-methyl group enhances metabolic stability and conformational rigidity. The compound exhibits bench stability and compatibility with standard synthetic workflows, supporting efficient purification and use in medicinal chemistry campaigns targeting CNS agents and kinase inhibitors.

Safety Information

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GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 2735
Class : 8
Packing Group : Ⅲ
Hazard Statements : H314
Precautionary Statements : P280-P301+P330+P331

Quality Control

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Computational Chemistry Data

  • TPSA   26.02
  • LogP   2.4988
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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