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2-Methyl-6-(trifluoromethyl)-1H-benzo[d][1,3]oxazin-4(2H)-one

CAS 1956319-95-1Formula C10H8F3NO2MW 231.17PubChem 118995086

This compound is a trifluoromethyl-substituted benzoxazinone derivative, specifically 2-Methyl-6-(trifluoromethyl)-1H-benzo[d][1,3]oxazin-4(2H)-one. It is categorized as a functionalized intermediate, suggesting its utility in synthetic organic chemistry for building more complex molecules.

Loading RDKit molecule structure...
InChIKey: PSEJUENJDXHRMO-UHFFFAOYSA-NC10H8F3NO2 | MW 231.17

Chemical Identity

Molecular Formula

C10H8F3NO2

Molecular Weight

231.17 g/mol

Exact Mass

231.050713

PubChem CID

118995086

IUPAC Name

2-methyl-6-(trifluoromethyl)-1,2-dihydro-3,1-benzoxazin-4-one

SMILES String

CC1Nc2ccc(C(F)(F)F)cc2C(=O)O1

Names & Synonyms

F508212-Methyl-6-(trifluoromethyl)-1,2-dihydro-4H-3,1-benzoxazin-4-one4H-3,1-Benzoxazin-4-one, 1,2-dihydro-2-methyl-6-(trifluoromethyl)-
External Identifiers
DTXSID501166105

Catalog Overview

2-Methyl-6-(trifluoromethyl)-1H-benzo[d][1,3]oxazin-4(2H)-one, identified by CAS 1956319-95-1, is an organic compound with the molecular formula C10H8F3NO2 and a molecular weight of 231. 17 g/mol. It features a benzoxazinone core structure, which is a heterocyclic system containing both nitrogen and oxygen atoms within a six-membered ring fused to a benzene ring. The presence of a methyl group at the 2-position and a trifluoromethyl group at the 6-position on the benzene ring provides specific steric and electronic properties.

Use Context

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

2-Methyl-6-(trifluoromethyl)-1H-benzo[d][1,3]oxazin-4(2H)-one, identified by CAS 1956319-95-1, is an organic compound with the molecular formula C10H8F3NO2 and a molecular weight of 231.17 g/mol. It features a benzoxazinone core structure, which is a heterocyclic system containing both nitrogen and oxygen atoms within a six-membered ring fused to a benzene ring. The presence of a methyl group at the 2-position and a trifluoromethyl group at the 6-position on the benzene ring provides specific steric and electronic properties. As a functionalized intermediate, it is valuable in research and development for synthesizing novel compounds, particularly in medicinal chemistry or materials science, where the benzoxazinone scaffold and trifluoromethyl group are often incorporated to modulate physicochemical properties.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White crystalline solid

Physical State

Solid

Melting Point

110.0 °C

Boiling Point

294.0 °C

Density

1.34 g/cm³

Water Solubility

Sparingly soluble

Flash Point

128.3 °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-Methyl-6-(trifluoromethyl)-1H-benzo[d][1,3]oxazin-4(2H)-one with appropriate personal protective equipment (PPE), including gloves, eye protection, and a lab coat. Work in a well-ventilated area or under a fume hood to minimize exposure to vapors or dust. Avoid inhalation, ingestion, and skin contact. In case of contact, wash thoroughly with soap and water. Store in a cool, dry place, away from incompatible materials. Consult the Safety Data Sheet (SDS) for comprehensive safety information before use.

Related Products / Graph Discovery

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