Description

Benzyl Isothiocyanate-D7 is a deuterated isotopologue of benzyl isothiocyanate, a naturally occurring compound found in cruciferous vegetables. This stable isotope-labeled version is essential for precise analytical quantification and metabolic pathway tracing in research. It is primarily utilized by scientists and quality control professionals in the pharmaceutical, agrochemical, and food safety industries for advanced mass spectrometry applications.

Application

• Used as an internal standard in Liquid Chromatography-Mass Spectrometry (LC-MS) and Gas Chromatography-Mass Spectrometry (GC-MS) for the accurate quantification of benzyl isothiocyanate and related metabolites.
• Critical for drug metabolism and pharmacokinetic (DMPK) studies to track the absorption, distribution, metabolism, and excretion of bioactive isothiocyanates.
• Facilitates biomarker discovery and validation in clinical and nutritional research focused on the chemopreventive properties of dietary compounds.
• Enables environmental fate studies and residue analysis of isothiocyanate-based pesticides or plant-derived compounds.
• Supports synthetic chemistry research as a labeled building block for creating deuterated analogs of more complex molecules.
• Applied in food chemistry and authenticity testing to measure natural glucosinolate breakdown products with high precision.

Basic Information

Product Name	Benzyl Isothiocyanate-D7
CAS No.	1246818-63-2
Molecular Formula	C8H2D7NS
Molecular Weight	154.25 g/mol (approx.)
Synonyms	(Benzyl-d7) isothiocyanate; Benzyl-d7 ITC; Benzyl Isothiocyanate (phenyl-d7); Deutero-Benzyl Isothiocyanate; NSC 8641-d7; Benzyl Mustard Oil-d7; (Phenyl-d7)methyl Isothiocyanate; α-Isothiocyanatotoluene-d7
EINECS	Contact for details

Quality Control

Our Benzyl Isothiocyanate-D7 is manufactured under strict quality protocols to ensure high chemical purity and isotopic enrichment, critical for reliable analytical results. Each batch is supported by a comprehensive Certificate of Analysis (COA) detailing parameters such as chemical purity (by HPLC), isotopic purity (by NMR and MS), and residual solvent content. We adhere to cGMP principles for research chemicals, ensuring traceability and consistency for our global clientele in regulated research environments.

Storage

Preserve in a tightly closed container, protected from light. Store at 2-8°C under an inert atmosphere for long-term stability. Keep the container in a cool, dry, and well-ventilated place, away from incompatible materials such as strong bases and oxidizing agents.

Specification

Item	Specification
Appearance	Clear, colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Identification (MS)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Isotopic Purity (NMR/MS)	≥ 98 atom % D
Water Content (KF)	≤ 0.5%

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