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4-Chloro-3-(trifluoromethyl)-L-phenylalanine

CAS 770673-87-5Formula C10H9ClF3NO2MW 267.63PubChem 67958529

4-Chloro-3-(trifluoromethyl)-L-phenylalanine is an L-phenylalanine derivative featuring a chloro and a trifluoromethyl group on the phenyl ring. This chiral compound is of interest in medicinal chemistry and drug discovery research as a building block or a potential bioactive compound.

Loading RDKit molecule structure...
InChIKey: LHPSDJVDEMVFGM-QMMMGPOBSA-NC10H9ClF3NO2 | MW 267.63

Chemical Identity

Molecular Formula

C10H9ClF3NO2

Molecular Weight

267.63 g/mol

Exact Mass

267.027391

PubChem CID

67958529

IUPAC Name

(2S)-2-amino-3-[4-chloro-3-(trifluoromethyl)phenyl]propanoic acid

SMILES String

N[C@@H](Cc1ccc(Cl)c(C(F)(F)F)c1)C(=O)O

Names & Synonyms

Phenylalanine, 4-chloro-3-(trifluoromethyl)-F80518
External Identifiers
MFCD18661858SCHEMBL9901109DTXSID80737847AKOS028112516JS-4372

Catalog Overview

4-Chloro-3-(trifluoromethyl)-L-phenylalanine (CAS 770673-87-5) is a synthetic amino acid derivative characterized by the presence of a chlorine atom and a trifluoromethyl group at positions 4 and 3, respectively, on the phenyl ring of L-phenylalanine. Its molecular formula is C10H9ClF3NO2 and it has a molecular weight of 267. 63 g/mol. As an L-amino acid, it possesses a defined stereochemistry at the alpha-carbon.

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Read more catalog context

4-Chloro-3-(trifluoromethyl)-L-phenylalanine (CAS 770673-87-5) is a synthetic amino acid derivative characterized by the presence of a chlorine atom and a trifluoromethyl group at positions 4 and 3, respectively, on the phenyl ring of L-phenylalanine. Its molecular formula is C10H9ClF3NO2 and it has a molecular weight of 267.63 g/mol. As an L-amino acid, it possesses a defined stereochemistry at the alpha-carbon. This compound falls into the "druglike_bioactive_like" structural bucket, suggesting its potential utility in the synthesis of complex organic molecules, particularly those with pharmaceutical relevance. Researchers may explore its incorporation into peptides, peptidomimetics, or other small molecules to investigate structure-activity relationships or develop novel research candidates.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White crystalline solid or powder

Physical State

Solid

Melting Point

205.0 °C

Boiling Point

380.0 °C

Density

1.5 g/cm³

Water Solubility

Slightly soluble

Flash Point

270.0 °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 4-Chloro-3-(trifluoromethyl)-L-phenylalanine in a well-ventilated area or fume hood. Wear appropriate personal protective equipment, including gloves, eye protection, and a lab coat. Avoid inhalation of dust or vapors, and prevent skin and eye contact. Wash hands thoroughly after handling. Refer to the Safety Data Sheet (SDS) for comprehensive safety information and emergency procedures. Store in a cool, dry place, tightly sealed.

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