Description

2-(tert-Butyl)-4,5,6-Trimethyl-3-Nitrophenyl Isothiocyanate is a specialized aromatic isothiocyanate derivative, characterized by its nitro and sterically hindered tert-butyl substituents. This compound serves as a critical high-purity building block for the synthesis of complex heterocyclic systems and functional materials. It is primarily required by pharmaceutical R&D and agrochemical laboratories for developing novel active ingredients and advanced intermediates.

Application

• Pharmaceutical Intermediate: Key precursor in the synthesis of novel drug candidates, particularly for targeted therapies.
• Agrochemical Synthesis: Building block for developing advanced herbicides, fungicides, and plant growth regulators with specific activity.
• Material Science Research: Used in the creation of functional polymers, liquid crystals, and organic electronic materials.
• Chemical Biology & Proteomics: Acts as a reactive handle for bioconjugation and labeling of biomolecules due to the isothiocyanate group.
• Dye & Pigment Intermediate: Serves in the synthesis of specialized colorants and photographic chemicals.
• Cross-linking Agent: Utilized in polymer chemistry to introduce specific functional groups or create cross-linked networks.

Basic Information

Item	Details
Product Name	2-(tert-Butyl)-4,5,6-Trimethyl-3-Nitrophenyl Isothiocyanate
CAS No.	680212-98-0
Molecular Formula	C14H18N2O2S
Molecular Weight	278.37 g/mol
Synonyms	2-tert-Butyl-4,5,6-trimethyl-3-nitrophenyl isothiocyanate; 3-Nitro-2-tert-butyl-4,5,6-trimethylphenyl isothiocyanate; 2-(1,1-Dimethylethyl)-4,5,6-trimethyl-3-nitrophenyl isothiocyanate; 2-(tert-Butyl)-3-nitro-4,5,6-trimethylphenyl isothiocyanate; 4,5,6-Trimethyl-2-tert-butyl-3-nitrophenyl isothiocyanate; 2-tert-Butyl-3-nitro-4,5,6-trimethylphenyl isothiocyanate; 3-Nitro-2-tert-butyl-4,5,6-trimethylbenzenisothiocyanate
EINECS	Contact for details

Quality Control

Our 2-(tert-Butyl)-4,5,6-Trimethyl-3-Nitrophenyl Isothiocyanate is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC for purity and NMR/IR for structural confirmation, to ensure compliance with exacting R&D and process chemistry standards. A comprehensive Certificate of Analysis (COA) detailing identity, purity, and impurity profiles is provided with every shipment.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (15-25°C). Due to its hygroscopic (moisture-sensitive) nature, the container must be kept tightly sealed under an inert atmosphere (e.g., nitrogen or argon) after opening to prevent degradation.

Specification

Item	Specification
Appearance	Yellow to light brown crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Melting Point	Contact for details
Loss on Drying	≤ 0.5%
Single Impurity (HPLC)	≤ 1.0%
Heavy Metals	≤ 20 ppm

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