Description

1-tert-Butyl-4-Isothiocyanatomethylbenzene is a specialized aromatic compound featuring both a tert-butyl group and a reactive isothiocyanate moiety. This unique structure makes it a valuable high-purity building block for synthesizing more complex molecules in advanced research and development. It is primarily utilized by pharmaceutical, agrochemical, and material science industries for creating novel compounds with targeted properties.

Application

• Pharmaceutical Intermediate: Serves as a key precursor in the synthesis of potential drug candidates, particularly those requiring the introduction of a thiourea or related functional group.
• Agrochemical Synthesis: Used in the research and development of new herbicides, fungicides, or pesticides where the isothiocyanate group can be leveraged for biological activity.
• Ligand and Catalyst Development: Acts as a starting material for creating specialized ligands used in catalytic systems or metal-organic frameworks (MOFs).
• Polymer Modification: Employed to introduce functional side chains into polymers, altering their physical or chemical properties for advanced material applications.
• Chemical Biology Research: Utilized as a probe or linker molecule in bioconjugation and protein labeling studies due to the reactivity of the isothiocyanate group with amines.
• Organic Synthesis Building Block: Provides a sterically hindered aromatic core for constructing complex organic molecules in academic and industrial R&D settings.

Basic Information

Product Name	1-tert-Butyl-4-Isothiocyanatomethylbenzene
CAS No.	31088-81-0
Molecular Formula	C12H15NS
Molecular Weight	205.32 g/mol
Synonyms	4-(tert-Butyl)benzyl isothiocyanate; p-tert-Butylbenzyl isothiocyanate; 1-Isothiocyanatomethyl-4-tert-butylbenzene; 4-tert-Butylbenzyl isothiocyanate; (4-(tert-Butyl)phenyl)methyl isothiocyanate; NSC 403120; Benzene, 1-(1,1-dimethylethyl)-4-[(isothiocyanato)methyl]-
EINECS	Contact for details

Quality Control

Our 1-tert-Butyl-4-Isothiocyanatomethylbenzene is produced under strict quality management protocols. Each batch undergoes comprehensive analytical testing, including HPLC, NMR, and GC, to ensure high chemical purity and identity confirmation. Certificates of Analysis (COA) detailing all specifications are provided with every shipment to guarantee traceability and compliance with your research or production requirements.

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). Due to its hygroscopic (moisture-sensitive) nature, the container must be kept tightly sealed after opening to prevent degradation. Keep away from heat, sparks, and open flame.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Melting Point	Contact for details
Loss on Drying	≤ 0.5%

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