Chemical Identity
Molecular Formula
C12H6ClF3N2O
Molecular Weight
286.63 g/mol
Exact Mass
286.012075
PubChem CID
6421032
SMILES String
COc1ccc2nc(C(F)(F)F)c(C#N)c(Cl)c2c1
Names & Synonyms
External Identifiers
Catalog Overview
4-Chloro-6-methoxy-2-(trifluoromethyl)quinoline-3-carbonitrile, identified by CAS 959271-96-6, is an organic compound characterized by a quinoline heterocyclic core. This core is substituted with a chlorine atom at position 4, a methoxy group at position 6, a trifluoromethyl group at position 2, and a carbonitrile group at position 3. With a molecular formula of C12H6ClF3N2O and a molecular weight of 286. 63, this compound presents a versatile scaffold for chemical synthesis.
Use Context
- Research chemical sourcing
- Custom synthesis and catalog availability review
- COA, SDS, pricing, and fulfillment workflow
Read more catalog context
4-Chloro-6-methoxy-2-(trifluoromethyl)quinoline-3-carbonitrile, identified by CAS 959271-96-6, is an organic compound characterized by a quinoline heterocyclic core. This core is substituted with a chlorine atom at position 4, a methoxy group at position 6, a trifluoromethyl group at position 2, and a carbonitrile group at position 3. With a molecular formula of C12H6ClF3N2O and a molecular weight of 286.63, this compound presents a versatile scaffold for chemical synthesis. Its combination of halogen, ether, and nitrile functionalities, alongside the electron-withdrawing trifluoromethyl group, contributes to its reactivity and potential for diverse chemical transformations. It is primarily intended for research and development applications.
Physical Data
EstimatedEstimated / predicted physical property values for catalog reference.
Appearance
White crystalline powder
Physical State
Solid
Melting Point
165.0 °C
Boiling Point
330.0 °C
Density
1.51 g/cm³
Water Solubility
Insoluble
Flash Point
159.9 °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 4-Chloro-6-methoxy-2-(trifluoromethyl)quinoline-3-carbonitrile 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. Store in a cool, dry place, away from incompatible materials.
Related Products / Graph Discovery
Related products, derivatives, keywords, and application cues for catalog discovery.
Related products and analog discovery will be available as catalog graph data is expanded.