MolGraphChemical Intelligence
Active Chemical RecordCatalog PreviewCatalog ready

2,2,2-trifluoroethyl N-(3-chloro-4-methylphenyl)carbamate

CAS 877964-35-7Formula C10H9ClF3NO2MW 267.63PubChem 9115264

2,2,2-Trifluoroethyl N-(3-chloro-4-methylphenyl)carbamate is a carbamate derivative containing trifluoroethyl, chloro, and methylphenyl groups, primarily intended for research and development purposes.

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

Chemical Identity

Molecular Formula

C10H9ClF3NO2

Molecular Weight

267.63 g/mol

Exact Mass

267.027391

PubChem CID

9115264

SMILES String

Cc1ccc(NC(=O)OCC(F)(F)F)cc1Cl

Names & Synonyms

2,2,2-trifluoroethyl 3-chloro-4-methylphenylcarbamateHMS1759E07G26801Z563246712,2,2-trifluoroethylN-(3-chloro-4-methylphenyl)carbamate
Show all synonyms
2,2,2-trifluoroethyl N-(3-chloro-4-methyl-phenyl)carbamate
External Identifiers
AKOS008024264CS-0235944EN300-16568

Catalog Overview

2,2,2-Trifluoroethyl N-(3-chloro-4-methylphenyl)carbamate is an organic compound characterized by a carbamate linkage, a trifluoroethyl group, and a 3-chloro-4-methylphenyl moiety. With a molecular formula of C10H9ClF3NO2 and a molecular weight of 267.63, this compound falls into the 'druglike_bioactive_like' structural bucket, suggesting its potential utility in medicinal chemistry research, medicinal chemistry research, or as a synthetic intermediate for more complex molecules. Its unique combination of halogenation (chlorine and fluorine) and a carbamate functional group may contribute to specific chemical properties and...

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-chloro-4-methylphenyl)carbamate is an organic compound characterized by a carbamate linkage, a trifluoroethyl group, and a 3-chloro-4-methylphenyl moiety. With a molecular formula of C10H9ClF3NO2 and a molecular weight of 267.63, this compound falls into the 'druglike_bioactive_like' structural bucket, suggesting its potential utility in medicinal chemistry research, medicinal chemistry research, or as a synthetic intermediate for more complex molecules. Its unique combination of halogenation (chlorine and fluorine) and a carbamate functional group may contribute to specific chemical properties and biological interactions, making it a valuable tool for structure-activity relationship studies and the synthesis of novel chemical entities in academic and industrial research settings. This product is for research use only.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

white crystalline powder

Physical State

solid

Melting Point

95.0 °C

Boiling Point

320.0 °C

Density

1.35 g/cm³

Water Solubility

very slightly soluble

Flash Point

200.0 °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 with appropriate personal protective equipment, including gloves, eye protection, and a lab coat. Use in a well-ventilated area or under a 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 detailed safety information before use.

Related Products / Graph Discovery

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

Related products and analog discovery will be available as catalog graph data is expanded.