Chemical Identity
Molecular Formula
C11H8F3NO2
Molecular Weight
243.18 g/mol
Exact Mass
243.050713
PubChem CID
22097844
SMILES String
Cc1c(C(=O)O)[nH]c2ccc(C(F)(F)F)cc12
Names & Synonyms
External Identifiers
Catalog Overview
3-methyl-5-(trifluoromethyl)-1H-indole-2-carboxylic acid (CAS 854531-37-6) is an organic compound featuring an indole core substituted with a methyl group at position 3, a trifluoromethyl group at position 5, and a carboxylic acid group at position 2. With a molecular formula of C11H8F3NO2 and a molecular weight of 243. 18 g/mol, this compound is classified as a heterocycle building block. The presence of the trifluoromethyl group often enhances lipophilicity and can influence the electronic properties and metabolic stability of molecules, making it a valuable motif in drug discovery 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-methyl-5-(trifluoromethyl)-1H-indole-2-carboxylic acid (CAS 854531-37-6) is an organic compound featuring an indole core substituted with a methyl group at position 3, a trifluoromethyl group at position 5, and a carboxylic acid group at position 2. With a molecular formula of C11H8F3NO2 and a molecular weight of 243.18 g/mol, this compound is classified as a heterocycle building block. The presence of the trifluoromethyl group often enhances lipophilicity and can influence the electronic properties and metabolic stability of molecules, making it a valuable motif in drug discovery and agrochemical research. The carboxylic acid functionality allows for various synthetic transformations, including esterification, amide formation, and decarboxylation, enabling its use in the synthesis of more complex chemical structures.
Physical Data
EstimatedEstimated / predicted physical property values for catalog reference.
Appearance
White solid
Physical State
Solid
Melting Point
150.9 °C
Boiling Point
383.4 °C
Density
1.54 g/cm³
Water Solubility
4.48 × 10⁻⁴ mol/L
Flash Point
180.2 °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 3-methyl-5-(trifluoromethyl)-1H-indole-2-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 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.
Related Products / Graph Discovery
Related products, derivatives, keywords, and application cues for catalog discovery.
Related CAS / Similar Products
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.