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2,2,2-trifluoroethyl N-(2,3-dimethylphenyl)carbamate

CAS 1087788-57-5Formula C11H12F3NO2MW 247.21PubChem 39871411

2,2,2-trifluoroethyl N-(2,3-dimethylphenyl)carbamate is a fluorinated carbamate derivative with a molecular formula of C11H12F3NO2 and a molecular weight of 247.21 g/mol. This compound is intended for research use as a functionalized intermediate in synthetic chemistry.

Loading RDKit molecule structure...
InChIKey: ONWRZQPIGJOUGY-UHFFFAOYSA-NC11H12F3NO2 | MW 247.21

Chemical Identity

Molecular Formula

C11H12F3NO2

Molecular Weight

247.21 g/mol

Exact Mass

247.082013

PubChem CID

39871411

SMILES String

Cc1cccc(NC(=O)OCC(F)(F)F)c1C

Names & Synonyms

2,2,2-trifluoroethyl 2,3-dimethylphenylcarbamateG392502,2,2-trifluoroethylN-(2,3-dimethylphenyl)carbamateZ381542132
External Identifiers
MTB78857AKOS009102171EN300-88263

Catalog Overview

2,2,2-trifluoroethyl N-(2,3-dimethylphenyl)carbamate, identified by CAS 1087788-57-5 and PubChem CID 39871411, is a chemical compound featuring a trifluoroethyl group and a 2,3-dimethylphenylcarbamate moiety. Its structure, represented by the SMILES string Cc1cccc(NC(=O)OCC(F)(F)F)c1C, suggests potential utility in organic synthesis, particularly in the introduction of trifluoroethyl and carbamate functionalities into target molecules. As a functionalized intermediate, it may serve as a building block for synthesizing more complex compounds in pharmaceutical, agrochemical, or materials science research. Researchers should consult...

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Read more catalog context

2,2,2-trifluoroethyl N-(2,3-dimethylphenyl)carbamate, identified by CAS 1087788-57-5 and PubChem CID 39871411, is a chemical compound featuring a trifluoroethyl group and a 2,3-dimethylphenylcarbamate moiety. Its structure, represented by the SMILES string Cc1cccc(NC(=O)OCC(F)(F)F)c1C, suggests potential utility in organic synthesis, particularly in the introduction of trifluoroethyl and carbamate functionalities into target molecules. As a functionalized intermediate, it may serve as a building block for synthesizing more complex compounds in pharmaceutical, agrochemical, or materials science research. Researchers should consult relevant literature for specific applications and reaction conditions.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White crystalline solid

Physical State

Solid

Melting Point

95.0 °C

Boiling Point

300.0 °C

Density

1.35 g/cm³

Water Solubility

Slightly soluble

Flash Point

155.0 °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 2,2,2-trifluoroethyl N-(2,3-dimethylphenyl)carbamate in a well-ventilated area or fume hood. Wear appropriate personal protective equipment, including safety goggles, gloves, and a lab coat. Avoid inhalation, ingestion, and skin contact. In case of contact, rinse thoroughly with water. Store in a cool, dry place, away from incompatible materials. Always refer to the Safety Data Sheet (SDS) for comprehensive safety information before use.

Related Products / Graph Discovery

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

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