Description

3,4-(Methylenedioxy)Benzyl Isothiocyanate is a specialized organic compound belonging to the class of benzyl isothiocyanates, characterized by the presence of a methylenedioxy functional group. This structural feature is significant as it is a key pharmacophore found in various bioactive molecules, making it a valuable building block for pharmaceutical and agrochemical research. It serves as a critical intermediate for synthesizing compounds with potential therapeutic and pesticidal activities. Industries engaged in the development of novel active ingredients, particularly in life sciences, will find this high-purity chemical essential for their R&D and scale-up processes.

Application

• Pharmaceutical Intermediate: Key precursor in the synthesis of novel drug candidates, especially those targeting neurological or anti-inflammatory pathways.
• Agrochemical Research: Building block for developing new-generation pesticides and herbicides due to its bioactive scaffold.
• Bioconjugation & Probe Synthesis: Used in chemical biology to create isothiocyanate-based probes for labeling proteins and other biomolecules.
• Organic Synthesis: Versatile reagent for introducing the (methylenedioxy)benzyl moiety into more complex molecular architectures.
• Flavor & Fragrance Chemistry: Intermediate for synthesizing certain specialty aroma chemicals, leveraging its unique benzodioxole structure.

Basic Information

Item	Detail
Product Name	3,4-(Methylenedioxy)Benzyl Isothiocyanate
CAS No.	4430-47-1
Molecular Formula	C9H7NO2S
Molecular Weight	193.22 g/mol
Synonyms	Piperonyl Isothiocyanate; 1,3-Benzodioxol-5-ylmethyl Isothiocyanate; 5-Isothiocyanatomethyl-1,3-benzodioxole; (1,3-Benzodioxol-5-yl)methyl Isothiocyanate; 3,4-Methylenedioxybenzyl Isothiocyanate; Heliotropyl Isothiocyanate; MDITC
EINECS	Contact for details

Quality Control

Our 3,4-(Methylenedioxy)Benzyl 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 it meets the high standards required for research and development. A comprehensive Certificate of Analysis (COA) detailing purity, identity, and impurity profiles is provided with every shipment to guarantee traceability and consistency.

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). This compound is moisture-sensitive (hygroscopic) and should be handled under an inert atmosphere for long-term storage to prevent degradation.

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.