Chemical Identity
Molecular Formula
C12H8F3NO2
Molecular Weight
255.19 g/mol
Exact Mass
255.050713
PubChem CID
138106331
SMILES String
N#CC1(c2cc(C(=O)O)cc(C(F)(F)F)c2)CC1
Names & Synonyms
External Identifiers
Catalog Overview
3-(1-Cyanocyclopropyl)-5-(trifluoromethyl)benzoic acid is an organic compound with the molecular formula C12H8F3NO2 and a molecular weight of 255.19 g/mol. It features a benzoic acid core substituted with a trifluoromethyl group at position 5 and a 1-cyanocyclopropyl group at position 3. This compound is intended for research use only, serving as a potential building block or intermediate in synthetic chemistry, particularly in the exploration of novel pharmaceutical candidates or agrochemicals due to its trifluoromethyl and cyano functionalities, which can influence physicochemical properties and biological activity.
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 solid
Physical State
Solid
Melting Point
165.0 °C
Boiling Point
380.0 °C
Density
1.45 g/cm³
Water Solubility
Slightly soluble
Flash Point
190.0 °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 thoroughly with 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.