Chemical Identity
Molecular Formula
C11H7BrF3NO2
Molecular Weight
322.08 g/mol
Exact Mass
320.96123
PubChem CID
134650542
SMILES String
CCOC(=O)c1cc(Br)c(C#N)c(C(F)(F)F)c1
Catalog Overview
Ethyl 3-bromo-4-cyano-5-(trifluoromethyl)benzoate, with CAS number 1805594-59-5 and molecular formula C11H7BrF3NO2, is a halogenated aromatic ester. Its structure incorporates a trifluoromethyl group, a cyano group, and a bromine atom on a benzene ring, along with an ethyl ester moiety. This combination of functional groups makes it a versatile intermediate in complex organic synthesis, particularly in the preparation of novel pharmaceutical candidates, agrochemicals, or materials science research where specific electronic and steric properties are desired. It is supplied for research use only.
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 crystalline solid
Physical State
solid
Melting Point
110.0 °C
Boiling Point
320.0 °C
Density
1.5 g/cm³
Water Solubility
slightly soluble
Flash Point
195.0 °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 Ethyl 3-bromo-4-cyano-5-(trifluoromethyl)benzoate in a well-ventilated area or fume hood. Wear appropriate personal protective equipment, including safety goggles, gloves, and a lab coat, to prevent skin and eye contact. Avoid inhalation of dust or vapors. In case of contact, wash thoroughly with soap and water. Consult the Safety Data Sheet (SDS) for detailed hazard information and safe handling procedures. Store in a cool, dry place, tightly sealed.
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.