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2,2,2-trifluoroethyl N-[3-(propan-2-yl)phenyl]carbamate

CAS 1087788-76-8Formula C12H14F3NO2MW 261.24PubChem 39871481

2,2,2-trifluoroethyl N-[3-(propan-2-yl)phenyl]carbamate is a trifluoroethyl carbamate derivative with a 3-isopropylphenyl moiety. This compound, with molecular formula C12H14F3NO2, is classified as a research-oriented/research-oriented molecule, making it of interest for various research applications in medicinal chemistry and drug discovery.

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

Chemical Identity

Molecular Formula

C12H14F3NO2

Molecular Weight

261.24 g/mol

Exact Mass

261.097663

PubChem CID

39871481

IUPAC Name

2,2,2-trifluoroethyl N-(3-propan-2-ylphenyl)carbamate

SMILES String

CC(C)c1cccc(NC(=O)OCC(F)(F)F)c1

Names & Synonyms

2,2,2-trifluoroethyl 3-isopropylphenylcarbamateG392562,2,2-Trifluoroethyl [3-(propan-2-yl)phenyl]carbamate2,2,2-trifluoroethylN-[3-(propan-2-yl)phenyl]carbamate2,2,2-Trifluoroethyl N-[3-(1-methylethyl)phenyl]carbamate
External Identifiers
DTXSID901197803MTB78876AKOS005874965EN300-88300

Catalog Overview

2,2,2-trifluoroethyl N-[3-(propan-2-yl)phenyl]carbamate is an organic chemical compound characterized by a carbamate functional group, where the nitrogen is substituted with a 3-isopropylphenyl group and the oxygen is linked to a 2,2,2-trifluoroethyl moiety. Its molecular structure, C12H14F3NO2, combines a fluorinated alkyl chain with an aromatic ring and an isopropyl substituent, contributing to its potential for diverse chemical interactions. As a research-oriented/research-oriented compound, it serves as a valuable building block or lead compound in synthetic organic chemistry, particularly in the exploration of novel...

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 N-[3-(propan-2-yl)phenyl]carbamate is an organic chemical compound characterized by a carbamate functional group, where the nitrogen is substituted with a 3-isopropylphenyl group and the oxygen is linked to a 2,2,2-trifluoroethyl moiety. Its molecular structure, C12H14F3NO2, combines a fluorinated alkyl chain with an aromatic ring and an isopropyl substituent, contributing to its potential for diverse chemical interactions. As a research-oriented/research-oriented compound, it serves as a valuable building block or lead compound in synthetic organic chemistry, particularly in the exploration of novel pharmaceutical agents or agrochemicals. Researchers may utilize this compound for structure-activity relationship studies, as a synthetic intermediate, or in the development of new chemical entities.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

colorless liquid

Physical State

liquid

Melting Point

-5.0 °C

Boiling Point

282.0 °C

Density

1.16 g/cm³

Water Solubility

sparingly soluble

Flash Point

147.9 °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-[3-(propan-2-yl)phenyl]carbamate with appropriate personal protective equipment, including gloves, eye protection, and a lab coat. Use in a well-ventilated area or fume hood to avoid inhalation. Avoid contact with skin and eyes. In case of contact, rinse thoroughly with water. Store in a cool, dry place, away from incompatible materials. Consult the Safety Data Sheet (SDS) for comprehensive safety information before handling.

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: 292429GHS 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.