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3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-propynyl N-(4-methoxyphenyl)carbamate

CAS 865657-85-8Formula C17H12ClF3N2O3MW 384.7PubChem 4313555

This compound is a complex organic molecule featuring a trifluoromethyl-substituted chloropyridine moiety linked via a propynyl group to an N-(4-methoxyphenyl)carbamate. It is primarily intended for research and development applications.

Loading RDKit molecule structure...
InChIKey: CZXGPSPVWHNCGL-UHFFFAOYSA-NC17H12ClF3N2O3 | MW 384.7

Chemical Identity

Molecular Formula

C17H12ClF3N2O3

Molecular Weight

384.7 g/mol

Exact Mass

384.048854

PubChem CID

4313555

IUPAC Name

3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]prop-2-ynyl N-(4-methoxyphenyl)carbamate

SMILES String

COc1ccc(NC(=O)OCC#Cc2ncc(C(F)(F)F)cc2Cl)cc1

Names & Synonyms

3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]prop-2-ynyl N-(4-methoxyphenyl)carbamate3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]prop-2-yn-1-yl N-(4-methoxyphenyl)carbamateC17H12ClF3N2O33T-08543-[3-chloro-5-(trifluoromethyl)-2-pyridyl]prop-2-ynyl N-(4-methoxyphenyl)carbamate
Show all synonyms
3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]prop-2-yn-1-ylN-(4-methoxyphenyl)carbamate
External Identifiers
MFCD04125170AKOS005089450

Catalog Overview

3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-propynyl N-(4-methoxyphenyl)carbamate is a synthetic organic compound with the molecular formula C17H12ClF3N2O3 and a molecular weight of 384.70 g/mol. Its structure incorporates a chlorinated and trifluoromethylated pyridine ring, an alkyne linker, and a carbamate group with a methoxyphenyl substituent. This chemical is classified within the research-oriented chemical scaffold, suggesting its potential utility in medicinal chemistry, drug discovery, and related biochemical research as a building block or lead compound. It is supplied for Research Use Only (RUO).

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 solid

Physical State

Solid

Melting Point

130.0 °C

Boiling Point

380.0 °C

Density

1.4 g/cm³

Water Solubility

Insoluble

Flash Point

245.0 °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 immediately with plenty of 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.

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: 29333990GHS Pictograms: GHS07Shipment review: Shipment details require review before fulfillment.

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