Description

3-Acetylphenyl Isothiocyanate is a versatile organic building block characterized by its reactive isothiocyanate and acetyl functional groups. This compound is essential for the synthesis of complex heterocyclic scaffolds and advanced pharmaceutical intermediates, offering chemists a key handle for targeted molecular construction. It is primarily utilized by research institutions and industrial R&D departments in the pharmaceutical, agrochemical, and material science sectors for developing new active ingredients and functional materials.

Application

• Pharmaceutical Intermediate: Serves as a critical precursor in the synthesis of novel drug candidates, particularly those targeting kinase inhibition or possessing anti-inflammatory properties.
• Agrochemical Research: Used in the development of new herbicides, fungicides, and plant growth regulators by acting as a core structure for bioactive molecules.
• Heterocyclic Chemistry: A key starting material for constructing complex nitrogen- and sulfur-containing heterocycles like benzothiazoles and quinazolines.
• Chemical Biology Probes: Employed in the design of activity-based probes (ABPs) and affinity tags for studying enzyme function and protein labeling.
• Material Science: Can be incorporated into polymer backbones or used as a surface modifier to impart specific chemical functionalities to materials.
• Ligand Synthesis: Useful for preparing specialized ligands for catalysis or metal-organic frameworks (MOFs).

Basic Information

Product Name	3-Acetylphenyl Isothiocyanate
CAS No.	3125-71-1
Molecular Formula	C9H7NOS
Molecular Weight	177.22 g/mol
Synonyms	1-(3-Isothiocyanatophenyl)ethanone; 3-Acetylphenyl mustard oil; m-Acetylphenyl isothiocyanate; 3-Isothiocyanatoacetophenone; 3-Acetophenyl isothiocyanate; (3-Isothiocyanatophenyl)methyl ketone; Ethanone, 1-(3-isothiocyanatophenyl)-; NSC 403796
EINECS	221-506-8

Quality Control

Our 3-Acetylphenyl Isothiocyanate is produced under strict quality management protocols. Each batch undergoes comprehensive analytical testing, including HPLC for purity and identity confirmation via FT-IR and NMR spectroscopy, to ensure it meets the high standards required for research and development. A detailed Certificate of Analysis (COA) is provided with every shipment to guarantee traceability, consistency, and compliance with your 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 (moisture-sensitive) nature, the container must be kept tightly sealed and under an inert atmosphere (e.g., nitrogen or argon) for long-term storage to prevent degradation.

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
Water Content (KF)	≤ 0.5%

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