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
External Identifiers
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.
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-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
EstimatedEstimated / 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
Biological Target Reference
No verified biological target assignment. This compound is listed primarily as a research or synthetic intermediate.
Preliminary Safety-Style Reference
PreliminaryPreliminary 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
Related products, derivatives, keywords, and application cues for catalog discovery.
Similar products (text references)
Recommended application cues
Catalog discovery cues, not supplier-verified claims.
Related HS Code / Compliance
Compliance cues are non-linked reference tags and require shipment review.