Description

4-Phenylbutyl Isothiocyanate is a specialized organic compound belonging to the isothiocyanate class, characterized by a phenylbutyl chain attached to the reactive N=C=S functional group. This structure makes it a valuable building block and intermediate in synthetic organic chemistry, particularly for the preparation of thiourea derivatives and other sulfur-containing compounds. It is primarily utilized by pharmaceutical research, agrochemical development, and material science laboratories for creating novel molecules with targeted biological or physical properties.

Application

• Pharmaceutical Intermediate: Key precursor in the synthesis of potential drug candidates, especially those targeting enzyme inhibition or possessing specific receptor-binding activities.
• Agrochemical Research: Used to develop novel herbicides, fungicides, or plant growth regulators by incorporating the bioactive isothiocyanate moiety.
• Chemical Biology Probe: Serves as a reactive handle for bioconjugation, labeling proteins, or studying biological pathways due to its affinity for nucleophiles like amines and thiols.
• Material Science: Acts as a monomer or cross-linking agent in the production of specialized polymers, resins, or coatings with enhanced properties.
• Organic Synthesis Building Block: Employed in heterocyclic chemistry and the construction of complex molecular architectures for research and development.

Basic Information

Product Name	4-Phenylbutyl Isothiocyanate
CAS No.	61449-10-3
Molecular Formula	C11H13NS
Molecular Weight	191.29 g/mol
Synonyms	4-Phenylbutyl isothiocyanate; (4-Phenylbutyl)isothiocyanate; 1-Isothiocyanato-4-phenylbutane; 4-Phenylbutyl mustard oil; NSC 403058; 4-Phenylbutyl Isosulfocyanate; 4-Phenylbutyl Isorhodanide
EINECS	Contact for details

Quality Control

Our 4-Phenylbutyl Isothiocyanate is produced and handled under strict quality management protocols. Each batch undergoes comprehensive analytical testing, including chromatographic purity analysis and structural confirmation, to ensure it meets the high standards required for research and industrial synthesis. Certificates of Analysis (COA) detailing specific batch results are available upon request to support your quality assurance and regulatory documentation needs.

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). Keep away from strong bases and incompatible materials such as strong oxidizing agents. Due to the reactive nature of the isothiocyanate group, ensure containers are sealed under an inert atmosphere if specified for long-term storage.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 95.0%
Water Content (KF)	≤ 0.5%

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