Chemical Identity
Molecular Formula
C12H16BrF3N2O2
Molecular Weight
357.17 g/mol
Exact Mass
356.03472
PubChem CID
166604229
SMILES String
CCC(C(=O)OC(C)(C)C)n1cc(Br)c(C(F)(F)F)n1
Names & Synonyms
External Identifiers
Catalog Overview
tert-Butyl 2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]butanoate, identified by CAS 2845128-74-5 and PubChem CID 166604229, is a synthetic organic compound intended for research and development applications. Its structure includes a pyrazole ring, which is a common heterocyclic scaffold in medicinal chemistry, substituted with a bromine atom and a trifluoromethyl group. The molecule also contains a tert-butyl butanoate ester moiety attached to the pyrazole nitrogen. This compound's unique structural features make it a potential building block or intermediate in the synthesis of more complex molecules, particularly those with...
Use Context
- Research chemical sourcing
- Custom synthesis and catalog availability review
- COA, SDS, pricing, and fulfillment workflow
Read more catalog context
tert-Butyl 2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]butanoate, identified by CAS 2845128-74-5 and PubChem CID 166604229, is a synthetic organic compound intended for research and development applications. Its structure includes a pyrazole ring, which is a common heterocyclic scaffold in medicinal chemistry, substituted with a bromine atom and a trifluoromethyl group. The molecule also contains a tert-butyl butanoate ester moiety attached to the pyrazole nitrogen. This compound's unique structural features make it a potential building block or intermediate in the synthesis of more complex molecules, particularly those with potential biological activity or in materials science research.
Physical Data
EstimatedEstimated / predicted physical property values for catalog reference.
Appearance
White solid
Physical State
Solid
Melting Point
60.0 °C
Boiling Point
300.0 °C
Density
1.4 g/cm³
Water Solubility
Insoluble
Flash Point
150.0 °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 (PPE) in a well-ventilated area or fume hood. Avoid inhalation, ingestion, and skin or eye contact. Refer to the Safety Data Sheet (SDS) for detailed hazard information and safe handling procedures. Store in a cool, dry place away from incompatible materials.
Related Products / Graph Discovery
Related products, derivatives, keywords, and application cues for catalog discovery.
Related CAS / Similar Products
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.