Chemical Identity
Molecular Formula
C12H11BrF3NO2
Molecular Weight
338.12 g/mol
Exact Mass
336.99253
PubChem CID
75479218
SMILES String
CCOc1cc(CC#N)cc(Br)c1OCC(F)(F)F
Names & Synonyms
External Identifiers
Catalog Overview
2-[3-Bromo-5-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]acetonitrile is an organic compound characterized by a phenylacetonitrile core substituted with a bromine atom, an ethoxy group, and a 2,2,2-trifluoroethoxy group. Its molecular formula is C12H11BrF3NO2 and it has a molecular weight of 338.12 g/mol. This compound belongs to the class of research-oriented and research-oriented molecules, making it a valuable building block or lead compound for various research applications, particularly in the synthesis of novel pharmaceutical candidates or probes for biological studies.
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
95.0 °C
Boiling Point
380.0 °C
Density
1.45 g/cm³
Water Solubility
Slightly soluble
Flash Point
180.0 °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 2-[3-Bromo-5-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]acetonitrile in a well-ventilated area or fume hood. Wear appropriate personal protective equipment, including gloves, eye protection, and a lab coat. Avoid inhalation of dust or vapors, and prevent skin and eye contact. 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 comprehensive safety information before handling.
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.