Chemical Identity
Molecular Formula
C15H12F6N2O2S
Molecular Weight
398.3 g/mol
Exact Mass
398.052368
PubChem CID
1475906
IUPAC Name
[1-methyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]sulfanylpyrazol-4-yl]methyl acetate
SMILES String
CC(=O)OCc1c(C(F)(F)F)nn(C)c1Sc1cccc(C(F)(F)F)c1
Names & Synonyms
External Identifiers
Catalog Overview
(1-methyl-3-(trifluoromethyl)-5-{[3-(trifluoromethyl)phenyl]sulfanyl}-1H-pyrazol-4-yl)methyl acetate, with CAS 957010-42-3, is a complex organic compound featuring a 1H-pyrazole core. Its molecular formula is C15H12F6N2O2S and it has a molecular weight of 398. 30. The structure includes a methyl group, two trifluoromethyl groups (one on the pyrazole and one on the phenyl ring), a [3-(trifluoromethyl)phenyl]sulfanyl moiety, and a methyl acetate group.
Use Context
- Research chemical sourcing
- Custom synthesis and catalog availability review
- COA, SDS, pricing, and fulfillment workflow
Read more catalog context
(1-methyl-3-(trifluoromethyl)-5-{[3-(trifluoromethyl)phenyl]sulfanyl}-1H-pyrazol-4-yl)methyl acetate, with CAS 957010-42-3, is a complex organic compound featuring a 1H-pyrazole core. Its molecular formula is C15H12F6N2O2S and it has a molecular weight of 398.30. The structure includes a methyl group, two trifluoromethyl groups (one on the pyrazole and one on the phenyl ring), a [3-(trifluoromethyl)phenyl]sulfanyl moiety, and a methyl acetate group. Classified within the research-oriented chemical scaffold, this compound is of interest for various research applications, particularly in medicinal chemistry and drug discovery. It is intended strictly for Research Use Only.
Physical Data
EstimatedEstimated / predicted physical property values for catalog reference.
Appearance
White to off-white solid
Physical State
Solid
Melting Point
95.0 °C
Boiling Point
350.0 °C
Density
1.4 g/cm³
Water Solubility
Insoluble
Flash Point
180.0 °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), including gloves, eye protection, and a lab coat. Use in a well-ventilated area or fume hood to prevent inhalation. Avoid direct skin and eye contact. Store in a cool, dry place, away from incompatible materials. Always refer to the Safety Data Sheet (SDS) for comprehensive safety information and emergency handling procedures.
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.