Description

3-Iodophenyl Isothiocyanate is a versatile aromatic isothiocyanate derivative characterized by its reactive isothiocyanate (-N=C=S) group and iodine substituent. This compound is a critical building block in organic synthesis, particularly valued for its role in constructing heterocyclic scaffolds and functionalized molecules. It is primarily utilized by researchers and manufacturers in the pharmaceutical, agrochemical, and material science industries for developing novel active ingredients and advanced materials.

Application

• Pharmaceutical Intermediate: Serves as a key precursor in the synthesis of potential drug candidates, especially those targeting kinase inhibition or acting as enzyme modulators.
• Agrochemical Research: Used in the development of novel herbicides, fungicides, and plant growth regulators due to its bioactive potential.
• Chemical Biology Probe: Acts as an electrophilic warhead for labeling cysteine residues in proteins, useful for activity-based protein profiling (ABPP) and proteomics studies.
• Heterocyclic Synthesis: A crucial reagent for constructing thiourea derivatives, thiazoles, and other sulfur- and nitrogen-containing heterocycles.
• Material Science: Employed as a monomer or cross-linking agent in the preparation of specialty polymers and functional materials.
• Ligand Synthesis: Used to prepare chelating agents and ligands for catalysis and metal-organic frameworks (MOFs).

Basic Information

Product Name	3-Iodophenyl Isothiocyanate
CAS No.	3125-73-3
Molecular Formula	C7H4INS
Molecular Weight	261.08 g/mol
Synonyms	1-Iodo-3-isothiocyanatobenzene; m-Iodophenyl isothiocyanate; 3-Isothiocyanato-1-iodobenzene; (3-Iodophenyl)isothiocyanate; Isothiocyanic acid, 3-iodophenyl ester; NSC 403119; 3-Iodophenyl mustard oil
EINECS	Contact for details

Quality Control

Our 3-Iodophenyl Isothiocyanate is produced under strict quality management protocols. Each batch undergoes comprehensive analytical testing, including HPLC for purity, NMR and IR for structural confirmation, and tests for residual solvents and heavy metals. We provide full traceability and Certificates of Analysis (COA) are available for all shipments to ensure compliance with your research and development specifications.

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 alcohols.

Specification

Item	Specification
Appearance	Off-white to pale yellow crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Melting Point	Contact for details
Heavy Metals	< 20 ppm
Residual Solvents (GC)	Complies with ICH guidelines

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