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3-Fluorobenzyl Isothiocyanate CAS NO 63351-94-0


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CAS No.:63351-94-0

Grade:Pharmacy Grade

Content:99.9%

Brand:Customizable

Packaging:Customizable

Description

3-Fluorobenzyl Isothiocyanate is a versatile organofluorine building block and a key reagent in synthetic organic chemistry. Its value lies in the reactive isothiocyanate (-N=C=S) group, which readily participates in cycloaddition and nucleophilic addition reactions to form heterocycles and thiourea derivatives. This compound is essential for researchers and manufacturers in the pharmaceutical and agrochemical industries, particularly for developing novel active ingredients and advanced intermediates.

Application

  • Pharmaceutical Intermediate: A critical precursor for the synthesis of fluorinated benzyl-thiourea and thiazolidinone derivatives with potential biological activity.
  • Agrochemical Research: Used in creating novel fluorinated pesticides and herbicides, where the fluorine atom can enhance stability and bioavailability.
  • Chemical Biology Probe: Serves as an electrophilic tagging agent for studying protein interactions and enzyme activity due to its reactivity with nucleophilic amino acids.
  • Material Science: Employed in the synthesis of specialized polymers and ligands where the fluorine moiety imparts unique electronic and physical properties.
  • Academic & R&D: A valuable reagent for methodological development in organic synthesis and medicinal chemistry programs.

Basic Information

Product Name 3-Fluorobenzyl Isothiocyanate
CAS No. 63351-94-0
Molecular Formula C8H6FNS
Molecular Weight 167.20 g/mol
Synonyms 1-(Isothiocyanatomethyl)-3-fluorobenzene; 3-Fluorobenzyl Mustard Oil; m-Fluorobenzyl Isothiocyanate; (3-Fluorophenyl)methyl Isothiocyanate; 3-Fluorobenzylthioisocyanate; α-Isothiocyanato-3-fluorotoluene
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Quality Control

Our 3-Fluorobenzyl Isothiocyanate is produced under strict quality management protocols. Each batch undergoes comprehensive analytical testing, including HPLC for purity and GC for residual solvents, to ensure it meets the high standards required for research and development. Certificates of Analysis (COA) with detailed chromatographic data are provided to guarantee traceability and batch-to-batch consistency.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at room temperature (15-25°C). This compound is moisture-sensitive; keep the container tightly sealed under an inert atmosphere if possible.

Specification

Item Specification
Appearance Colorless to pale yellow liquid
Identification (IR) Conforms
Purity (HPLC) ≥ 97.0%
Water Content (KF) ≤ 0.5%

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.

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