Chemical Identity
Molecular Formula
C9H8F5NOS
Molecular Weight
273.22 g/mol
Exact Mass
273.024676
PubChem CID
66523619
IUPAC Name
2-[2-methoxy-5-(pentafluoro-lambda6-sulfanyl)phenyl]acetonitrile
SMILES String
COc1ccc(S(F)(F)(F)(F)F)cc1CC#N
Names & Synonyms
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External Identifiers
Catalog Overview
2-Methoxy-5-(pentafluorosulfur)phenylacetonitrile, identified by CAS 1240257-27-5, is a synthetic organic chemical characterized by its phenylacetonitrile core substituted with a methoxy group at position 2 and a pentafluorosulfur (SF5) group at position 5. The SF5 group is a highly electronegative and sterically demanding substituent, known for its exceptional chemical and thermal stability, as well as its strong electron-withdrawing properties. These characteristics make it a valuable motif in the design of novel compounds with enhanced biological activity or specific material properties. The acetonitrile group provides a...
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2-Methoxy-5-(pentafluorosulfur)phenylacetonitrile, identified by CAS 1240257-27-5, is a synthetic organic chemical characterized by its phenylacetonitrile core substituted with a methoxy group at position 2 and a pentafluorosulfur (SF5) group at position 5. The SF5 group is a highly electronegative and sterically demanding substituent, known for its exceptional chemical and thermal stability, as well as its strong electron-withdrawing properties. These characteristics make it a valuable motif in the design of novel compounds with enhanced biological activity or specific material properties. The acetonitrile group provides a reactive handle for further synthetic modifications, while the methoxy group can influence solubility and electronic properties. This compound is supplied for research use only (RUO) and is suitable for various synthetic chemistry applications, including the exploration of new drug candidates or advanced materials.
Physical Data
EstimatedEstimated / predicted physical property values for catalog reference.
Appearance
White to off-white solid
Physical State
Solid
Melting Point
85.0 °C
Boiling Point
280.0 °C
Density
1.45 g/cm³
Water Solubility
Slightly soluble
Flash Point
120.0 °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-Methoxy-5-(pentafluorosulfur)phenylacetonitrile 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, rinse immediately with plenty of water. Consult the Safety Data Sheet (SDS) for comprehensive safety information and emergency procedures. Store in a cool, dry place, away from incompatible materials.
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