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2-Methoxy-4,6-bis(trifluoromethyl)benzonitrile

CAS 1092460-75-7Formula C10H5F6NOMW 269.14PubChem 57364458

2-Methoxy-4,6-bis(trifluoromethyl)benzonitrile is a fluorinated aromatic nitrile compound with a methoxy group. It features two trifluoromethyl substituents on the benzene ring, contributing to its unique electronic and steric properties. This compound is primarily intended for research use.

Loading RDKit molecule structure...
InChIKey: UEQPQBOSRAOLAK-UHFFFAOYSA-NC10H5F6NO | MW 269.14

Chemical Identity

Molecular Formula

C10H5F6NO

Molecular Weight

269.14 g/mol

Exact Mass

269.027533

PubChem CID

57364458

SMILES String

COc1cc(C(F)(F)F)cc(C(F)(F)F)c1C#N

External Identifiers
MFCD11519321DTXSID401249334AKOS015956830JS-4822CS-0321362

Catalog Overview

2-Methoxy-4,6-bis(trifluoromethyl)benzonitrile is an organic compound characterized by a benzonitrile core substituted with a methoxy group at position 2 and two trifluoromethyl groups at positions 4 and 6. The presence of multiple fluorine atoms, particularly in trifluoromethyl groups, often enhances chemical stability, lipophilicity, and modulates electronic properties, making such compounds valuable in drug discovery and materials science. Its nitrile functionality and aromatic ring provide versatile sites for further chemical modifications, making it a useful building block in complex organic synthesis.

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

Clear, colorless to pale yellow liquid

Physical State

Liquid

Melting Point

5.0 °C

Boiling Point

196.0 °C

Density

1.37 g/cm³

Water Solubility

Slightly soluble

Flash Point

65.4 °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 2-Methoxy-4,6-bis(trifluoromethyl)benzonitrile with appropriate personal protective equipment, including gloves, eye protection, and a lab coat. Use in a well-ventilated area or a chemical fume hood to avoid inhalation. Prevent skin and eye contact, and do not ingest. Always refer to the Safety Data Sheet (SDS) for comprehensive safety information and proper disposal procedures.

Related Products / Graph Discovery

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

Similar products (text references)

871571-38-9CAS 871571-38-9
1067188-94-6CAS 1067188-94-6
1007235-31-5CAS 1007235-31-5
1550561-60-8CAS 1550561-60-8
2955710-54-8CAS 2955710-54-8

Recommended application cues

Research intermediateCustom synthesis building block

Catalog discovery cues, not supplier-verified claims.

Related HS Code / Compliance

HS Code: 292690GHS Pictograms: GHS07Shipment review: Shipment details require review before fulfillment.

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