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2-Chloro-3-(trifluoromethyl)-DL-phenylalanine

CAS 1259973-98-2Formula C10H9ClF3NO2MW 267.63PubChem 3865141

2-Chloro-3-(trifluoromethyl)-DL-phenylalanine is a halogenated phenylalanine derivative, often explored in research as a building block for synthesizing more complex molecules, particularly in medicinal chemistry and drug discovery due to its 'research-oriented' structural characteristics.

Loading RDKit molecule structure...
InChIKey: ZWOIILYMYQMEHW-UHFFFAOYSA-NC10H9ClF3NO2 | MW 267.63

Chemical Identity

Molecular Formula

C10H9ClF3NO2

Molecular Weight

267.63 g/mol

Exact Mass

267.027391

PubChem CID

3865141

IUPAC Name

2-amino-3-[2-chloro-3-(trifluoromethyl)phenyl]propanoic acid

SMILES String

NC(Cc1cccc(C(F)(F)F)c1Cl)C(=O)O

Names & Synonyms

2-Amino-3-(2-chloro-3-(trifluoromethyl)phenyl)propanoic acid2-Chloro-3-(trifluoromethyl)-DL-phenylalanine (H-DL-Phe(2-Cl,3-CF3)-OH)
External Identifiers
MFCD04115993AKOS015956730CS-0443121

Catalog Overview

2-Chloro-3-(trifluoromethyl)-DL-phenylalanine, identified by CAS 1259973-98-2, is a synthetic amino acid featuring a phenyl ring substituted with both a chlorine atom and a trifluoromethyl group. As a DL-phenylalanine derivative, it represents a racemic mixture of the L- and D-enantiomers. Its unique halogenation pattern makes it a valuable intermediate in the synthesis of novel compounds for pharmaceutical and agrochemical research, where the trifluoromethyl group can impart enhanced lipophilicity and metabolic stability, and the chlorine atom can influence binding affinity. Researchers utilize this compound as a versatile...

Use Context

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  • Custom synthesis and catalog availability review
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Read more catalog context

2-Chloro-3-(trifluoromethyl)-DL-phenylalanine, identified by CAS 1259973-98-2, is a synthetic amino acid featuring a phenyl ring substituted with both a chlorine atom and a trifluoromethyl group. As a DL-phenylalanine derivative, it represents a racemic mixture of the L- and D-enantiomers. Its unique halogenation pattern makes it a valuable intermediate in the synthesis of novel compounds for pharmaceutical and agrochemical research, where the trifluoromethyl group can impart enhanced lipophilicity and metabolic stability, and the chlorine atom can influence binding affinity. Researchers utilize this compound as a versatile building block in organic synthesis, particularly in the development of peptidomimetics and other bioactive molecules for research purposes.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White to off-white crystalline powder

Physical State

Solid

Melting Point

200.0 °C

Density

1.4 g/cm³

Water Solubility

Slightly soluble

Flash Point

250.0 °C

Applications / Classifications

Research intermediateCustom synthesis building block

Biological Target Reference

No verified biological target assignment. This compound is listed primarily as a research or synthetic intermediate.

Preliminary Safety-Style Reference

Preliminary

Preliminary safety-style information for reference only. Not a supplier SDS.

Handling and Storage
  • Handle with appropriate personal protective equipment, including gloves, eye protection, and a lab coat. Use in a well-ventilated area or fume hood to avoid inhalation. Avoid contact with skin and eyes. In case of contact, rinse thoroughly with water. Store in a cool, dry place, away from incompatible materials. Consult the Safety Data Sheet (SDS) for detailed hazard information and safe handling procedures. This product is for research use only and not for human or animal therapeutic or diagnostic use.

Related Products / Graph Discovery

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