Chemical Identity
Molecular Formula
C15H12F6N2O3
Molecular Weight
382.26 g/mol
Exact Mass
382.075211
PubChem CID
1478798
IUPAC Name
[1-methyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]pyrazol-4-yl]methyl acetate
SMILES String
CC(=O)OCc1c(C(F)(F)F)nn(C)c1Oc1cccc(C(F)(F)F)c1
Names & Synonyms
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External Identifiers
Catalog Overview
This compound, identified by CAS 318469-44-2, is {1-methyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]-1H-pyrazol-4-yl}methyl acetate. It is characterized by a pyrazole ring substituted with a methyl group, a trifluoromethyl group, and a phenoxy group which itself bears another trifluoromethyl substituent. An acetate ester is attached via a methyl linker to the pyrazole ring. Its molecular structure, C15H12F6N2O3, and molecular weight of 382.
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Read more catalog context
This compound, identified by CAS 318469-44-2, is {1-methyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]-1H-pyrazol-4-yl}methyl acetate. It is characterized by a pyrazole ring substituted with a methyl group, a trifluoromethyl group, and a phenoxy group which itself bears another trifluoromethyl substituent. An acetate ester is attached via a methyl linker to the pyrazole ring. Its molecular structure, C15H12F6N2O3, and molecular weight of 382.26, position it as a compound of interest in the synthesis and study of novel chemical entities, particularly within the realm of research-oriented and research-oriented molecules for research applications.
Physical Data
EstimatedEstimated / predicted physical property values for catalog reference.
Appearance
White to off-white crystalline solid
Physical State
Solid
Melting Point
105.0 °C
Boiling Point
350.0 °C
Density
1.4 g/cm³
Water Solubility
Slightly soluble
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 {1-methyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]-1H-pyrazol-4-yl}methyl acetate in a well-ventilated area or fume hood. Wear appropriate personal protective equipment, including gloves, eye protection, and a lab coat. Avoid inhalation, ingestion, and skin 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.
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