Description

3-tert-Butylphenylisothiocyanate is a specialized organic building block featuring an isothiocyanate functional group attached to a tert-butyl substituted aromatic ring. This compound matters as a versatile intermediate for synthesizing thiourea derivatives and other heterocyclic compounds critical in advanced material and pharmaceutical research. It is needed by R&D chemists and process development scientists in the agrochemical, pharmaceutical, and specialty chemical industries for creating novel active ingredients and functional materials.

Application

• Pharmaceutical Intermediate: Key precursor in the synthesis of novel drug candidates, particularly those targeting kinase inhibition or acting as protease inhibitors.
• Agrochemical Synthesis: Building block for developing new herbicides, fungicides, and plant growth regulators with enhanced activity.
• Ligand and Catalyst Development: Used to prepare thiourea-based ligands for asymmetric catalysis and metal complexation.
• Polymer Modification: Serves as a functional monomer or cross-linking agent to introduce specific chemical properties into polymer backbones.
• Chemical Biology Research: Employed in bioconjugation and probe development for studying protein interactions and cellular processes.
• Material Science: Intermediate for creating advanced organic materials with specific electronic or optical characteristics.

Basic Information

Item	Detail
Product Name	3-tert-Butylphenylisothiocyanate
CAS No.	611226-35-8
Molecular Formula	C11H13NS
Molecular Weight	191.29 g/mol
Synonyms	1-Isothiocyanato-3-tert-butylbenzene; 3-(tert-Butyl)phenyl isothiocyanate; m-tert-Butylphenyl isothiocyanate; 3-tert-Butylbenzenisothiocyanate; 3-tert-Butylphenyl mustard oil; 3-(1,1-Dimethylethyl)phenyl isothiocyanate
EINECS	Contact for details

Quality Control

Our 3-tert-Butylphenylisothiocyanate is produced under strict quality management protocols. Each batch undergoes comprehensive analytical testing to ensure identity, purity, and consistency. Certificates of Analysis (COA) documenting key parameters are available upon request, providing full traceability and compliance with your internal quality standards.

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, strong oxidizing agents, and moisture. For long-term storage, consider an inert atmosphere to maintain optimal purity.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
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.