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2,2,2-Trifluoroethyl ethyl(2-methylphenyl)carbamate

CAS 1087788-88-2Formula C12H14F3NO2MW 261.24PubChem 39871529

This is a trifluoroethyl carbamate derivative, a research-use chemical with the formula C12H14F3NO2. Carbamates are often found in pharmaceuticals and agrochemicals, and the trifluoroethyl group can influence metabolic stability and lipophilicity, making it of interest in medicinal chemistry and synthetic applications.

Loading RDKit molecule structure...
InChIKey: JFGCSJPWLWACOA-UHFFFAOYSA-NC12H14F3NO2 | MW 261.24

Chemical Identity

Molecular Formula

C12H14F3NO2

Molecular Weight

261.24 g/mol

Exact Mass

261.097663

PubChem CID

39871529

IUPAC Name

2,2,2-trifluoroethyl N-ethyl-N-(2-methylphenyl)carbamate

SMILES String

CCN(C(=O)OCC(F)(F)F)c1ccccc1C

Names & Synonyms

G193952,2,2-trifluoroethylN-ethyl-N-(2-methylphenyl)carbamateZ381542280
External Identifiers
MTB78888AKOS009102144CS-0263620EN300-88423

Catalog Overview

2,2,2-Trifluoroethyl ethyl(2-methylphenyl)carbamate, identified by CAS 1087788-88-2, is an organic compound with the molecular formula C12H14F3NO2 and a molecular weight of 261. 24 g/mol. It features a carbamate functional group, where the nitrogen atom is substituted with an ethyl group and a 2-methylphenyl group, and the oxygen atom is linked to a 2,2,2-trifluoroethyl moiety. This structure places it within the "druglike_bioactive_like" chemical space, suggesting its potential utility in medicinal chemistry research, drug discovery, or as a synthetic intermediate for more complex molecules.

Use Context

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

2,2,2-Trifluoroethyl ethyl(2-methylphenyl)carbamate, identified by CAS 1087788-88-2, is an organic compound with the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. It features a carbamate functional group, where the nitrogen atom is substituted with an ethyl group and a 2-methylphenyl group, and the oxygen atom is linked to a 2,2,2-trifluoroethyl moiety. This structure places it within the "druglike_bioactive_like" chemical space, suggesting its potential utility in medicinal chemistry research, drug discovery, or as a synthetic intermediate for more complex molecules. The trifluoroethyl group is known to impart specific physicochemical properties, such as increased lipophilicity and metabolic stability, which can be advantageous in pharmaceutical development.

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

265.0 °C

Density

1.25 g/cm³

Water Solubility

Slightly soluble

Flash Point

120.0 °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 ethyl(2-methylphenyl)carbamate in a well-ventilated area or fume hood. Wear appropriate personal protective equipment (PPE), 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 immediately with plenty of water. Consult the Safety Data Sheet (SDS) for detailed hazard information and emergency procedures before use. Store in a cool, dry place, away from incompatible materials. This product is for research use only and not for human or animal therapeutic or diagnostic use.

Related Products / Graph Discovery

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

Recommended application cues

Research intermediateCustom synthesis building block

Catalog discovery cues, not supplier-verified claims.

Related HS Code / Compliance

HS Code: 292419GHS Pictograms: GHS07Shipment review: Shipment details require review before fulfillment.

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

Catalog navigation

Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.