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Chemical Absolute Identifiers
CAS Number
318239-58-6
PubChem CID
1475917
Molecular Formula
C14H12BrF3N2O2S
Molecular Weight
409.22 g/mol
Exact Mass
407.9755
InChIKey
XIYKNQMCMOTZEV-UHFFFAOYSA-N
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
Physical Properties
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
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Catalog Facts
Structural features
This compound is a complex organic molecule featuring a pyrazole core substituted with a bromophenylsulfanyl group, a methyl group, a trifluoromethyl group, and a methyl acetate group. Its structure suggests...
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
For research use only. This compound can serve as a versatile building block in organic synthesis, particularly for creating novel pyrazole derivatives. It may be explored in medicinal chemistry for medicinal...
Documentation needs
COA/SDS status, availability, lead time, pack size, and shipment documentation can be confirmed during quotation.
Applications & Classification
Safety & Handling
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.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
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