Chemical Identity
Molecular Formula
C14H12BrF3N2O2S
Molecular Weight
409.22 g/mol
Exact Mass
407.9755
PubChem CID
1475917
IUPAC Name
[5-(4-bromophenyl)sulfanyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl acetate
SMILES String
CC(=O)OCc1c(C(F)(F)F)nn(C)c1Sc1ccc(Br)cc1
Names & Synonyms
External Identifiers
Catalog Overview
[5-[(4-bromophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl acetate is a synthetic organic compound with the molecular formula C14H12BrF3N2O2S and a molecular weight of 409. 22 g/mol. It incorporates several key functional groups: a pyrazole heterocyclic ring, a bromophenyl group linked via a thioether, a trifluoromethyl group, and an acetate ester. This intricate structure makes it a valuable research chemical for advanced synthetic methodologies, medicinal chemistry programs, and materials science investigations.
Use Context
- Research chemical sourcing
- Custom synthesis and catalog availability review
- COA, SDS, pricing, and fulfillment workflow
Read more catalog context
[5-[(4-bromophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl acetate is a synthetic organic compound with the molecular formula C14H12BrF3N2O2S and a molecular weight of 409.22 g/mol. It incorporates several key functional groups: a pyrazole heterocyclic ring, a bromophenyl group linked via a thioether, a trifluoromethyl group, and an acetate ester. This intricate structure makes it a valuable research chemical for advanced synthetic methodologies, medicinal chemistry programs, and materials science investigations. Its "druglike_bioactive_like" classification suggests potential for exploring structure-activity relationships in biological systems, though it is strictly for research use only.
Physical Data
EstimatedEstimated / predicted physical property values for catalog reference.
Appearance
White solid
Physical State
Solid
Melting Point
100.0 °C
Boiling Point
450.0 °C
Density
1.5 g/cm³
Water Solubility
Insoluble
Flash Point
250.0 °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 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 comprehensive safety information before use.
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.