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2,2,2-trifluoroethyl N-(2-chloro-4-methylphenyl)carbamate

CAS 1087798-35-3Formula C10H9ClF3NO2MW 267.63PubChem 39871564

2,2,2-Trifluoroethyl N-(2-chloro-4-methylphenyl)carbamate is a synthetic organic compound featuring a trifluoroethyl ester and a chloro-methylphenyl carbamate moiety. It is primarily utilized in research and development as a chemical building block or intermediate, particularly in medicinal chemistry and drug discovery programs due to its 'research-oriented' structural characteristics.

Loading RDKit molecule structure...
InChIKey: PHPOLDBUJVXQHY-UHFFFAOYSA-NC10H9ClF3NO2 | MW 267.63

Chemical Identity

Molecular Formula

C10H9ClF3NO2

Molecular Weight

267.63 g/mol

Exact Mass

267.027391

PubChem CID

39871564

SMILES String

Cc1ccc(NC(=O)OCC(F)(F)F)c(Cl)c1

Names & Synonyms

2,2,2-trifluoroethyl 2-chloro-4-methylphenylcarbamateG392942,2,2-Trifluoroethyl (2-chloro-4-methylphenyl)carbamate2,2,2-trifluoroethylN-(2-chloro-4-methylphenyl)carbamateCarbamic acid, N-(2-chloro-4-methylphenyl)-, 2,2,2-trifluoroethyl ester
External Identifiers
DTXSID901151544MTB79835AKOS005825134EN300-88441

Catalog Overview

2,2,2-Trifluoroethyl N-(2-chloro-4-methylphenyl)carbamate, identified by CAS 1087798-35-3, is a carbamate derivative with the molecular formula C10H9ClF3NO2 and a molecular weight of 267.63 g/mol. Its structure incorporates a 2,2,2-trifluoroethyl group linked via an ester to a carbamate, which is further attached to a 2-chloro-4-methylphenyl moiety. This compound is classified as 'druglike_bioactive_like' and is intended for Research Use Only (RUO) applications, serving as a versatile intermediate in complex organic synthesis and pharmaceutical research.

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

White crystalline solid

Physical State

Solid

Melting Point

95.0 °C

Boiling Point

284.0 °C

Density

1.37 g/cm³

Water Solubility

Slightly soluble

Flash Point

169.0 °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-chloro-4-methylphenyl)carbamate with appropriate personal protective equipment (PPE), including gloves, eye protection, and a lab coat. Work in a well-ventilated area or fume hood to minimize exposure. Avoid inhalation, ingestion, and skin contact. Store in a cool, dry place, away from incompatible materials. Dispose of waste according to local regulations for chemical waste.

Related Products / Graph Discovery

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

Related CAS / Similar Products

2,2,2-trifluoroethyl N-(3-chloro-2-methylphenyl)carbamateCAS 1087797-97-45-Chloro-2-(trifluoromethyl)-DL-phenylalanineCAS 1256482-62-83-Chloro-4-(trifluoromethyl)-DL-phenylalanineCAS 1259966-92-12,2,2-trifluoroethyl N-(3-chloro-4-methylphenyl)carbamateCAS 877964-35-72,2,2-trifluoroethyl N-(5-chloro-2-methylphenyl)carbamateCAS 1087788-56-4

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

Related catalog entries

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

CAS 1087788-56-42,2,2-trifluoroethyl N-(5-chloro-2-methylphenyl)carbamateCAS 1087797-97-42,2,2-trifluoroethyl N-(3-chloro-2-methylphenyl)carbamateCAS 877964-35-72,2,2-trifluoroethyl N-(3-chloro-4-methylphenyl)carbamateCAS 1256482-62-85-Chloro-2-(trifluoromethyl)-DL-phenylalanineCAS 1259966-92-13-Chloro-4-(trifluoromethyl)-DL-phenylalanineCAS 1259961-84-63-Chloro-5-(trifluoromethyl)-DL-phenylalanineCAS 1259965-55-32-Amino-3-(4-chloro-2-(trifluoromethyl)phenyl)propanoic acidCAS 1259973-98-22-Chloro-3-(trifluoromethyl)-DL-phenylalanine