Chemical Identity
Molecular Formula
C13H9F5N2O3
Molecular Weight
336.21 g/mol
Exact Mass
336.053333
PubChem CID
66826025
IUPAC Name
3-(difluoromethyl)-1-methyl-5-[3-(trifluoromethyl)phenoxy]pyrazole-4-carboxylic acid
SMILES String
Cn1nc(C(F)F)c(C(=O)O)c1Oc1cccc(C(F)(F)F)c1
Names & Synonyms
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External Identifiers
Catalog Overview
3-(Difluoromethyl)-1-methyl-5-(3-(trifluoromethyl)phenoxy)-1H-pyrazole-4-carboxylic acid is an organic compound characterized by a pyrazole core substituted with a difluoromethyl group, a methyl group, a 3-(trifluoromethyl)phenoxy moiety, and a carboxylic acid group. Its complex structure, rich in fluorine atoms, makes it a valuable building block or lead compound in medicinal chemistry and agrochemical research, particularly for exploring structure-activity relationships in fluorinated heterocyclic systems. This compound is strictly for Research Use Only (RUO).
Use Context
- Research chemical sourcing
- Custom synthesis and catalog availability review
- COA, SDS, pricing, and fulfillment workflow
Physical Data
EstimatedEstimated / predicted physical property values for catalog reference.
Appearance
White crystalline solid
Physical State
Solid
Melting Point
165.0 °C
Boiling Point
380.0 °C
Density
1.5 g/cm³
Water Solubility
Slightly soluble
Flash Point
205.0 °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 avoid inhalation. Avoid ingestion and skin contact. Refer to the Safety Data Sheet (SDS) for detailed safety information, handling instructions, and emergency procedures. Store in a cool, dry place away from incompatible materials.
Related Products / Graph Discovery
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Related CAS / Similar Products
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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.