Chemical Identity
Molecular Formula
C12H10F3NO2
Molecular Weight
257.21 g/mol
Exact Mass
257.066363
PubChem CID
131637917
SMILES String
Cc1ccc2c(C(C(=O)O)C(F)(F)F)c[nH]c2c1
Names & Synonyms
External Identifiers
Catalog Overview
3,3,3-Trifluoro-2-(6-methyl-1H-indol-3-yl)propanoic acid, identified by CAS 2197052-76-7, is an organic compound featuring a 6-methyl-1H-indole core substituted with a 3,3,3-trifluoro-2-propanoic acid group. Its molecular formula is C12H10F3NO2 and it has a molecular weight of 257. 21 g/mol. This compound is characterized by the presence of a trifluoromethyl group, which often imparts unique physicochemical properties such as increased lipophilicity, metabolic stability, and altered pKa values, making it valuable in pharmaceutical and agrochemical research.
Use Context
- Research chemical sourcing
- Custom synthesis and catalog availability review
- COA, SDS, pricing, and fulfillment workflow
Read more catalog context
3,3,3-Trifluoro-2-(6-methyl-1H-indol-3-yl)propanoic acid, identified by CAS 2197052-76-7, is an organic compound featuring a 6-methyl-1H-indole core substituted with a 3,3,3-trifluoro-2-propanoic acid group. Its molecular formula is C12H10F3NO2 and it has a molecular weight of 257.21 g/mol. This compound is characterized by the presence of a trifluoromethyl group, which often imparts unique physicochemical properties such as increased lipophilicity, metabolic stability, and altered pKa values, making it valuable in pharmaceutical and agrochemical research. The indole moiety is a privileged structure found in many biologically active compounds. This chemical is primarily intended for research and development applications.
Physical Data
EstimatedEstimated / predicted physical property values for catalog reference.
Appearance
White to off-white crystalline solid or powder
Physical State
Solid
Melting Point
165.0 °C
Boiling Point
350.0 °C
Density
1.4 g/cm³
Water Solubility
Slightly soluble
Flash Point
194.0 °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 under a 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 detailed hazard information and safe handling procedures before use. This product is for research use only and not for human or animal consumption.
Related Products / Graph Discovery
Related products, derivatives, keywords, and application cues for catalog discovery.
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.