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2,2,2-trifluoroethyl N-(3,5-dimethylphenyl)carbamate

CAS 1087788-80-4Formula C11H12F3NO2MW 247.21PubChem 39871496

2,2,2-trifluoroethyl N-(3,5-dimethylphenyl)carbamate is a fluorinated carbamate derivative, primarily utilized as a functionalized intermediate in organic synthesis for research purposes. Its structure incorporates a trifluoroethyl group and a dimethylphenyl moiety, making it relevant for introducing specific functionalities in various research applications.

Loading RDKit molecule structure...
InChIKey: SKYMSALHXPRGPB-UHFFFAOYSA-NC11H12F3NO2 | MW 247.21

Chemical Identity

Molecular Formula

C11H12F3NO2

Molecular Weight

247.21 g/mol

Exact Mass

247.082013

PubChem CID

39871496

SMILES String

Cc1cc(C)cc(NC(=O)OCC(F)(F)F)c1

Names & Synonyms

2,2,2-trifluoroethyl 3,5-dimethylphenylcarbamateG392582,2,2-Trifluoroethyl (3,5-dimethylphenyl)carbamate2,2,2-trifluoroethylN-(3,5-dimethylphenyl)carbamateZ381542348
External Identifiers
DTXSID701221137MTB78880AKOS009101786CS-0263592EN300-88307

Catalog Overview

2,2,2-trifluoroethyl N-(3,5-dimethylphenyl)carbamate, identified by CAS 1087788-80-4, is a synthetic organic compound featuring a carbamate linkage, a 2,2,2-trifluoroethyl ester, and a 3,5-dimethylphenyl substituent. This trifluorinated carbamate serves as a versatile building block in chemical research, particularly in the synthesis of more complex molecules. The trifluoroethyl group can impart unique electronic and steric properties, while the dimethylphenyl group offers a substituted aromatic core for further functionalization. Researchers may explore its utility in medicinal chemistry, agrochemical development, or materials...

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Read more catalog context

2,2,2-trifluoroethyl N-(3,5-dimethylphenyl)carbamate, identified by CAS 1087788-80-4, is a synthetic organic compound featuring a carbamate linkage, a 2,2,2-trifluoroethyl ester, and a 3,5-dimethylphenyl substituent. This trifluorinated carbamate serves as a versatile building block in chemical research, particularly in the synthesis of more complex molecules. The trifluoroethyl group can impart unique electronic and steric properties, while the dimethylphenyl group offers a substituted aromatic core for further functionalization. Researchers may explore its utility in medicinal chemistry, agrochemical development, or materials science as an intermediate for creating novel compounds with desired properties.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White crystalline solid or powder

Physical State

Solid

Melting Point

95.0 °C

Boiling Point

281.0 °C

Density

1.24 g/cm³

Water Solubility

Slightly soluble

Flash Point

175.0 °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 (PPE) 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. Consult the Safety Data Sheet (SDS) for detailed hazard information and safe handling procedures.

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