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4-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl](cyano)methyl]phenyl acetate

CAS 338410-39-2Formula C16H10ClF3N2O2MW 354.71PubChem 3818928

4-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl](cyano)methyl]phenyl acetate is a research-use organic compound with the formula C16H10ClF3N2O2 and a molecular weight of 354.71. It features a trifluoromethyl group, a chlorine atom, a pyridine ring, and a phenyl acetate group, classifying it as a research-oriented/research-oriented molecule.

Loading RDKit molecule structure...
InChIKey: SMBFFRWTESJBMQ-UHFFFAOYSA-NC16H10ClF3N2O2 | MW 354.71

Chemical Identity

Molecular Formula

C16H10ClF3N2O2

Molecular Weight

354.71 g/mol

Exact Mass

354.03829

PubChem CID

3818928

IUPAC Name

[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-cyanomethyl]phenyl] acetate

SMILES String

CC(=O)Oc1ccc(C(C#N)c2ncc(C(F)(F)F)cc2Cl)cc1

Names & Synonyms

[4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-cyanomethyl]phenyl] acetate4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](cyano)methyl}phenyl acetateBionet1_003090HMS577G123J-019
Show all synonyms
4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](cyano)methyl}phenylacetate
External Identifiers
AKOS005087974

Catalog Overview

4-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl](cyano)methyl]phenyl acetate is a complex organic compound characterized by a trifluoromethyl group, a chlorine atom, a pyridine ring, a phenyl acetate moiety, and a cyano group. Its intricate structure places it within the 'druglike_bioactive_like' structural bucket, suggesting its potential utility in medicinal chemistry and drug discovery research. This compound serves as a valuable building block or intermediate for synthesizing more complex molecules for various research applications.

Use Context

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

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White to off-white crystalline powder

Physical State

Solid

Melting Point

120.0 °C

Boiling Point

350.0 °C

Density

1.4 g/cm³

Water Solubility

Slightly soluble

Flash Point

195.0 °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-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl](cyano)methyl]phenyl acetate with appropriate personal protective equipment, including gloves, eye protection, and a lab coat. Work in a well-ventilated area or a fume hood to avoid inhalation. Prevent skin and eye contact. Ensure proper storage in a cool, dry place, away from incompatible materials. Dispose of waste according to institutional guidelines and local regulations for chemical waste.

Related Products / Graph Discovery

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

Similar products (text references)

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Recommended application cues

Research intermediateCustom synthesis building block

Catalog discovery cues, not supplier-verified claims.

Related HS Code / Compliance

HS Code: 293399GHS Pictograms: GHS07Shipment review: Shipment details require review before fulfillment.

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