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2,2,2-trifluoroethyl N-butylcarbamate

CAS 121237-90-9Formula C7H12F3NO2MW 199.17PubChem 16226837

2,2,2-trifluoroethyl N-butylcarbamate is a trifluoroethyl carbamate derivative, useful as a functionalized intermediate in organic synthesis. Its structure combines a carbamate group with a trifluoroethyl moiety, making it a versatile building block for introducing these functionalities into target molecules in research applications.

Loading RDKit molecule structure...
InChIKey: LUKNAHZXMMZIRG-UHFFFAOYSA-NC7H12F3NO2 | MW 199.17

Chemical Identity

Molecular Formula

C7H12F3NO2

Molecular Weight

199.17 g/mol

Exact Mass

199.082013

PubChem CID

16226837

SMILES String

CCCCNC(=O)OCC(F)(F)F

Names & Synonyms

2,2,2-trifluoroethyl butylcarbamateTrifluoroethyl Butylcarbamate2,2,2-trifluoroethylN-butylcarbamateZ55292548
External Identifiers
SCHEMBL12097015AKOS008023577CS-0235863EN300-16348

Catalog Overview

2,2,2-trifluoroethyl N-butylcarbamate (CAS 121237-90-9) is an organic compound featuring a carbamate functional group and a trifluoroethyl moiety. With a molecular formula of C7H12F3NO2 and a molecular weight of 199. 17, it is classified as a functionalized intermediate. The presence of the trifluoroethyl group often imparts unique chemical properties, such as increased lipophilicity, altered pKa, and enhanced metabolic stability, which can be advantageous in the design of novel compounds.

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Read more catalog context

2,2,2-trifluoroethyl N-butylcarbamate (CAS 121237-90-9) is an organic compound featuring a carbamate functional group and a trifluoroethyl moiety. With a molecular formula of C7H12F3NO2 and a molecular weight of 199.17, it is classified as a functionalized intermediate. The presence of the trifluoroethyl group often imparts unique chemical properties, such as increased lipophilicity, altered pKa, and enhanced metabolic stability, which can be advantageous in the design of novel compounds. This compound can serve as a versatile building block in various synthetic routes, particularly in the development of pharmaceuticals, agrochemicals, or specialty materials where fluorine incorporation is desired. Its carbamate linkage suggests potential utility in reactions involving amine protection or as a precursor for other nitrogen-containing functionalities. For research use only.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

Colorless liquid

Physical State

Liquid

Melting Point

-5.0 °C

Boiling Point

195.0 °C

Density

1.3 g/cm³

Water Solubility

Sparingly soluble

Flash Point

80.0 °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 before use.

Related Products / Graph Discovery

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