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

CAS 1087797-97-4Formula C10H9ClF3NO2MW 267.63PubChem 39871420

This compound is a trifluoroethyl carbamate derivative featuring a 3-chloro-2-methylphenyl moiety. With a molecular formula of C10H9ClF3NO2 and a molecular weight of 267.63, it is classified as a research-oriented/research-oriented molecule, making it suitable for various synthetic and medicinal chemistry research applications.

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

Chemical Identity

Molecular Formula

C10H9ClF3NO2

Molecular Weight

267.63 g/mol

Exact Mass

267.027391

PubChem CID

39871420

SMILES String

Cc1c(Cl)cccc1NC(=O)OCC(F)(F)F

Names & Synonyms

2,2,2-trifluoroethyl 3-chloro-2-methylphenylcarbamate2,2,2-trifluoroethylN-(3-chloro-2-methylphenyl)carbamate
External Identifiers
MTB79797AKOS005875100EN300-88268

Catalog Overview

2,2,2-Trifluoroethyl N-(3-chloro-2-methylphenyl)carbamate, identified by CAS 1087797-97-4, is an organic chemical compound with the molecular formula C10H9ClF3NO2 and a molecular weight of 267. 63 g/mol. It features a carbamate functional group linking a 2,2,2-trifluoroethyl moiety to a 3-chloro-2-methylphenyl group. This structure suggests its potential utility as a building block or intermediate in the synthesis of more complex molecules, particularly within pharmaceutical or agrochemical research due to its "druglike_bioactive_like" structural characteristics.

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-2-methylphenyl)carbamate, identified by CAS 1087797-97-4, is an organic chemical compound with the molecular formula C10H9ClF3NO2 and a molecular weight of 267.63 g/mol. It features a carbamate functional group linking a 2,2,2-trifluoroethyl moiety to a 3-chloro-2-methylphenyl group. This structure suggests its potential utility as a building block or intermediate in the synthesis of more complex molecules, particularly within pharmaceutical or agrochemical research due to its "druglike_bioactive_like" structural characteristics. Its trifluoromethyl and chloro substituents can impart specific electronic and steric properties, influencing reactivity and biological interactions.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White solid

Physical State

Solid

Melting Point

95.0 °C

Boiling Point

280.0 °C

Density

1.4 g/cm³

Water Solubility

Slightly soluble

Flash Point

160.0 °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 immediately with plenty of water. Store in a cool, dry place, away from incompatible materials. Consult the Safety Data Sheet (SDS) for detailed hazard information and safe handling procedures.

Related Products / Graph Discovery

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