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2-Methoxy-5-(pentafluorosulfur)phenylacetonitrile

CAS 1240257-27-5Formula C9H8F5NOSMW 273.22PubChem 66523619

2-Methoxy-5-(pentafluorosulfur)phenylacetonitrile is a fluorinated organic compound featuring a pentafluorosulfur (SF5) group, a methoxy group, and an acetonitrile moiety attached to a phenyl ring. With a molecular formula of C9H8F5NOS and a molecular weight of 273.22, this compound is primarily intended for research and development applications, particularly in medicinal chemistry and materials science where the unique properties of the SF5 group are leveraged.

Loading RDKit molecule structure...
InChIKey: UYISHVGSSKNHCB-UHFFFAOYSA-NC9H8F5NOS | MW 273.22

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

2-Methoxy-5-(pentafluorothio)phenylacetonitrile2-Methoxy-5-(pentafluorosulfanyl)phenylacetonitrile2-(2-Methoxy-5-(pentafluoro-lambda6-sulfanyl)phenyl)acetonitrileC9H8F5NOS2-(2-Methoxy-5-(pentafluoro-|E6-sulfanyl)phenyl)acetonitrile
Show all synonyms
2-[2-METHOXY-5-(PENTAFLUORO-??-SULFANYL)PHENYL]ACETONITRILE
External Identifiers
MFCD16652489AKOS015957239JS-4058CS-0334805

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...

Use Context

  • Research chemical sourcing
  • Custom synthesis and catalog availability review
  • COA, SDS, pricing, and fulfillment workflow
Read more catalog context

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

Estimated

Estimated / 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

Research intermediateCustom synthesis building block

Biological Target Reference

No verified biological target assignment. This compound is listed primarily as a research or synthetic intermediate.

Preliminary Safety-Style Reference

Preliminary

Preliminary 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.

Related Products / Graph Discovery

Related products, derivatives, keywords, and application cues for catalog discovery.

Similar products (text references)

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1213157-43-7CAS 1213157-43-7
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Recommended application cues

Research intermediateCustom synthesis building block

Catalog discovery cues, not supplier-verified claims.

Related HS Code / Compliance

HS Code: 292690GHS Pictograms: GHS07Shipment review: Shipment details require review before fulfillment.

Compliance cues are non-linked reference tags and require shipment review.

Catalog navigation

Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.