Description

2-Methyl-4-(Trifluoromethoxy)Phenylisothiocyanate is a specialized aromatic isothiocyanate derivative, distinguished by the presence of a trifluoromethoxy substituent. This compound is a crucial high-value building block in advanced organic synthesis, particularly for the development of novel agrochemicals and pharmaceuticals. It is primarily sought by R&D chemists and process development scientists in the agrochemical, pharmaceutical, and material science industries for creating new molecules with enhanced biological activity and physical properties.

Application

• Agrochemical Intermediate: A key precursor in the synthesis of novel herbicides, fungicides, and insecticides, where the trifluoromethoxy group can improve lipophilicity and metabolic stability.
• Pharmaceutical Research: Used in medicinal chemistry to construct heterocyclic scaffolds and as a reagent for introducing the thiourea moiety via reaction with amines, which is common in drug discovery programs.
• Ligand Synthesis: Serves as a starting material for preparing specialized ligands used in catalysis and metal-organic frameworks (MOFs).
• Polymer Modification: Can be employed to functionalize polymers or surfaces, introducing reactive isothiocyanate groups for further chemical attachment.
• Chemical Biology Probes: Useful for labeling biomolecules due to the reactivity of the isothiocyanate group with amines under mild conditions.

Basic Information

Product Name	2-Methyl-4-(Trifluoromethoxy)Phenylisothiocyanate
CAS No.	1000576-96-4
Molecular Formula	C9H6F3NOS
Molecular Weight	233.21 g/mol
Synonyms	2-Methyl-4-(trifluoromethoxy)phenyl isothiocyanate; 1-Isothiocyanato-2-methyl-4-(trifluoromethoxy)benzene; 4-(Trifluoromethoxy)-2-methylphenyl isothiocyanate; 2-Methyl-α,α,α-trifluoro-p-cresyl isothiocyanate; 2-Methyl-4-trifluoromethoxyphenyl isothiocyanate; [2-Methyl-4-(trifluoromethoxy)phenyl]isothiocyanate
EINECS	Contact for details

Quality Control

Our 2-Methyl-4-(Trifluoromethoxy)Phenylisothiocyanate is produced under strict quality management protocols. Each batch undergoes comprehensive analytical testing, including HPLC for purity and NMR/IR for structural confirmation, to ensure it meets the exacting standards required for research and process chemistry. A detailed Certificate of Analysis (COA) is provided with every shipment, documenting key specifications such as assay purity and impurity profiles.

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 nature, the container must be kept tightly sealed to exclude moisture. Keep away from strong bases, amines, and oxidizing agents.

Specification

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

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