Chemical Identity
Molecular Formula
C18H15F3N2O3
Molecular Weight
364.3 g/mol
Exact Mass
364.103477
PubChem CID
164940350
IUPAC Name
3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxylic acid
SMILES String
CCn1c(C(O)(c2ccccc2)C(F)(F)F)nc2ccc(C(=O)O)cc21
External Identifiers
Catalog Overview
1-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)-1H-benzo[d]imidazole-6-carboxylic acid, identified by CAS 2567984-73-8, is an organic compound with the molecular formula C18H15F3N2O3 and a molecular weight of 364.30. It incorporates a benzimidazole heterocyclic system, an ethyl substituent, a trifluoromethyl group, a hydroxyl group, and a phenyl ring within its structure, along with a carboxylic acid functionality. This intricate architecture places it within the 'druglike_bioactive_like' structural bucket, indicating its relevance for synthetic organic chemistry and potential exploration in drug discovery research.
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 to off-white crystalline powder
Physical State
Solid
Melting Point
175.0 °C
Boiling Point
450.0 °C
Density
1.4 g/cm³
Water Solubility
Sparingly soluble
Flash Point
280.0 °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 contact with skin and eyes. In case of contact, rinse immediately with plenty of water. Consult the Safety Data Sheet (SDS) for detailed hazard information and safe handling procedures. Store in a cool, dry place, away from incompatible materials.
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.