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Ethyl 2-propyl-6-(trifluoromethyl)nicotinate

CAS 1772822-98-6Formula C12H14F3NO2MW 261.24PubChem 113533603

Ethyl 2-propyl-6-(trifluoromethyl)nicotinate (CAS 1772822-98-6) is a trifluoromethylated pyridine derivative, characterized by an ethyl ester and a propyl group. This compound is primarily intended for research and development applications, particularly in synthetic organic chemistry and medicinal chemistry, where its unique structural features may be explored for novel compound synthesis or as a building block for more complex molecules.

Loading RDKit molecule structure...
InChIKey: LMLBMWRTTDSCCH-UHFFFAOYSA-NC12H14F3NO2 | MW 261.24

Chemical Identity

Molecular Formula

C12H14F3NO2

Molecular Weight

261.24 g/mol

Exact Mass

261.097663

PubChem CID

113533603

IUPAC Name

ethyl 2-propyl-6-(trifluoromethyl)pyridine-3-carboxylate

SMILES String

CCCc1nc(C(F)(F)F)ccc1C(=O)OCC

Names & Synonyms

ethyl2-propyl-6-(trifluoromethyl)nicotinateW13454F538228
External Identifiers
MFCD27392915

Catalog Overview

Ethyl 2-propyl-6-(trifluoromethyl)nicotinate, identified by CAS 1772822-98-6, is an organic chemical compound with the molecular formula C12H14F3NO2 and a molecular weight of 261. 24 g/mol. It features a pyridine core substituted with an ethyl carboxylate group at position 3, a propyl group at position 2, and a trifluoromethyl group at position 6. This combination of functional groups makes it a versatile building block in synthetic organic chemistry.

Use Context

  • Research chemical sourcing
  • Custom synthesis and catalog availability review
  • COA, SDS, pricing, and fulfillment workflow
Read more catalog context

Ethyl 2-propyl-6-(trifluoromethyl)nicotinate, identified by CAS 1772822-98-6, is an organic chemical compound with the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. It features a pyridine core substituted with an ethyl carboxylate group at position 3, a propyl group at position 2, and a trifluoromethyl group at position 6. This combination of functional groups makes it a versatile building block in synthetic organic chemistry. Its trifluoromethyl moiety can impart unique physicochemical properties, such as increased lipophilicity and metabolic stability, which are often desirable in drug discovery and agrochemical research. Researchers may utilize this compound in the synthesis of novel heterocyclic compounds, pharmaceutical intermediates, or as a scaffold for exploring structure-activity relationships in various biological systems.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

Colorless liquid

Physical State

Liquid

Melting Point

5.0 °C

Boiling Point

265.0 °C

Density

1.2 g/cm³

Water Solubility

Insoluble

Flash Point

125.0 °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 Ethyl 2-propyl-6-(trifluoromethyl)nicotinate in a well-ventilated area or fume hood. Wear appropriate personal protective equipment, including safety goggles, gloves, and a lab coat, to prevent skin and eye contact. Avoid inhalation of dust or vapors. In case of contact, rinse thoroughly with water. Consult the Safety Data Sheet (SDS) for comprehensive safety information and emergency procedures before use. Store in a cool, dry place, tightly sealed.

Related Products / Graph Discovery

Related products, derivatives, keywords, and application cues for catalog discovery.

Recommended application cues

Research intermediateCustom synthesis building block

Catalog discovery cues, not supplier-verified claims.

Related HS Code / Compliance

HS Code: 293339GHS Pictograms: GHS07Shipment review: Shipment details require review before fulfillment.

Compliance cues are non-linked reference tags and require shipment review.

Catalog navigation

Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.