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
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External Identifiers
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
EstimatedEstimated / 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
Biological Target Reference
No verified biological target assignment. This compound is listed primarily as a research or synthetic intermediate.
Preliminary Safety-Style Reference
PreliminaryPreliminary 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.
Related CAS / Similar Products
Similar products (text references)
Recommended application cues
Catalog discovery cues, not supplier-verified claims.
Related HS Code / Compliance
Compliance cues are non-linked reference tags and require shipment review.