In the realm of specialized organic chemistry, intermediates with specific functional groups and structural features are vital for synthesizing complex molecules. 3-Chloro-4-fluorophenyl Isothiocyanate (CAS 137724-66-4) is one such compound, prized for its utility in various synthetic pathways. For chemists and formulators, a thorough understanding of its properties and potential applications is key to maximizing its value in research and industrial production. Let's delve into what makes this chemical intermediate so important and where it finds its utility.

Chemical Profile: Properties of 3-Chloro-4-fluorophenyl Isothiocyanate

The identity and behavior of a chemical intermediate are defined by its physical and chemical properties. 3-Chloro-4-fluorophenyl Isothiocyanate is known for:

  • Appearance: It presents as a colorless to pale yellow transparent liquid, which is an important visual indicator of its purity and physical state under standard conditions.
  • Purity: Typically supplied with an assay of ≥99.0%, this high level of purity is critical for achieving predictable and clean reaction outcomes, especially in demanding applications like pharmaceutical synthesis.
  • Molecular Data: Its molecular formula is C7H3ClFNS, giving it a molecular weight of 187.62200. These parameters are fundamental for stoichiometric calculations in synthesis.
  • Boiling Point: Reported at 115-117 °C under reduced pressure (11 mmHg), its boiling point is indicative of its volatility and thermal stability under specific conditions.
  • Flash Point: With a flash point of 130-132 °C/15mm, it is classified as a combustible liquid, requiring appropriate handling and storage procedures.
  • Sensitivity: The compound is noted as being moisture sensitive and lachrymatory, necessitating careful handling in controlled environments, such as glove boxes or under inert atmospheres, and with adequate personal protective equipment (PPE).

Applications Across Industries

The isothiocyanate group (-N=C=S) is highly reactive and can participate in a wide range of nucleophilic addition reactions. This reactivity makes 3-Chloro-4-fluorophenyl Isothiocyanate a valuable intermediate in:

  • Pharmaceutical Synthesis: It serves as a key building block for creating novel drug candidates and active pharmaceutical ingredients (APIs). Its halogenated phenyl structure can introduce specific electronic or lipophilic properties to the final molecule, influencing pharmacological activity. Researchers looking to buy this for drug development can find reliable suppliers offering high purity.
  • Agrochemical Development: The structural motifs present in this compound are also beneficial in the design of new pesticides, herbicides, and fungicides. Its incorporation can lead to compounds with enhanced efficacy or specificity in crop protection.
  • Materials Science: The isothiocyanate group can be used to functionalize polymers or surfaces, creating new materials with unique properties for applications in coatings, adhesives, or advanced composites.
  • General Organic Synthesis: As a versatile reagent, it is employed in academic research and industrial laboratories for various condensation and addition reactions, leading to a broad spectrum of organic compounds.

For professionals seeking to purchase this critical intermediate, engaging with a dependable manufacturer and supplier ensures access to quality material for their research and production needs.