Chemical Identity
Molecular Formula
C13H8F6N2O3
Molecular Weight
354.2 g/mol
Exact Mass
354.043911
PubChem CID
2775696
IUPAC Name
1-methyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]pyrazole-4-carboxylic acid
SMILES String
Cn1nc(C(F)(F)F)c(C(=O)O)c1Oc1cccc(C(F)(F)F)c1
Names & Synonyms
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External Identifiers
Catalog Overview
1-Methyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]-1H-pyrazole-4-carboxylic acid is a complex organic compound characterized by a 1H-pyrazole core substituted with a methyl group, two trifluoromethyl groups, a 3-(trifluoromethyl)phenoxy group, and a carboxylic acid group. Its molecular formula is C13H8F6N2O3 and it has a molecular weight of 354. 20 g/mol. This compound's intricate structure, including multiple fluorine atoms, suggests potential utility in medicinal chemistry, agrochemical research, or materials science as a building block or a lead compound for further investigation.
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)phenoxy]-1H-pyrazole-4-carboxylic acid is a complex organic compound characterized by a 1H-pyrazole core substituted with a methyl group, two trifluoromethyl groups, a 3-(trifluoromethyl)phenoxy group, and a carboxylic acid group. Its molecular formula is C13H8F6N2O3 and it has a molecular weight of 354.20 g/mol. This compound's intricate structure, including multiple fluorine atoms, suggests potential utility in medicinal chemistry, agrochemical research, or materials science as a building block or a lead compound for further investigation. It is supplied for research use only (RUO).
Physical Data
EstimatedEstimated / predicted physical property values for catalog reference.
Appearance
White to off-white powder or crystalline solid
Physical State
Solid
Melting Point
120.0 °C
Boiling Point
350.0 °C
Density
1.5 g/cm³
Water Solubility
Slightly soluble
Flash Point
200.0 °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-pyrazole-4-carboxylic acid with appropriate personal protective equipment, including gloves, eye protection, and a lab coat. Work in a well-ventilated area or under a fume hood to minimize exposure. Avoid inhalation, ingestion, and skin contact. Refer to the Safety Data Sheet (SDS) for comprehensive safety information and emergency procedures. Store in a cool, dry place, away from incompatible materials.
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Catalog discovery cues, not supplier-verified claims.
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