Description

p-Tolyl-D7 Isocyanate is a deuterium-labeled derivative of p-tolyl isocyanate, where seven hydrogen atoms are replaced with deuterium, serving as a critical stable isotope-labeled internal standard for analytical chemistry. This high-purity compound is essential for ensuring accurate quantification and method validation in mass spectrometry-based analyses, eliminating interference from unlabeled analytes. It is primarily required by research scientists and quality control laboratories in the pharmaceutical, agrochemical, and environmental testing sectors for advanced metabolic and pharmacokinetic studies.

Application

• Internal Standard for LC-MS/MS: Used as a stable isotope-labeled internal standard for the precise quantification of p-tolyl isocyanate and related metabolites in complex biological matrices.
• Pharmaceutical Research: Critical in drug metabolism and pharmacokinetics (DMPK) studies for tracing and quantifying drug-derived compounds.
• Agrochemical Analysis: Employed in residue testing and environmental fate studies of pesticides and herbicides that degrade to or contain isocyanate-related structures.
• Chemical Synthesis: Acts as a deuterated building block for the synthesis of labeled polymers, dyes, or other specialty chemicals where isotopic tracing is necessary.
• Forensic and Doping Control: Supports high-confidence analytical methods in forensic toxicology and anti-doping programs requiring definitive identification and measurement.
• Method Development and Validation: Serves as a key reagent for developing, optimizing, and validating sensitive and specific analytical methods in regulatory environments.

Basic Information

Product Name	p-Tolyl-D7 Isocyanate
CAS No.	1219798-59-0
Molecular Formula	C8D7NO
Molecular Weight	138.19 g/mol
Synonyms	4-Methyl-D7-phenyl isocyanate; (2,3,5,6-D4,4-D3)-4-Methylphenyl isocyanate; p-Tolyl-D7 NCO; Deutero-labeled p-tolyl isocyanate; 4-(Methyl-D3)phenyl-2,3,5,6-D4-isocyanate; Isocyanic acid, 4-methyl-D7-phenyl ester; 4-Methyl-D7-benzenesulfonyl isocyanate (common error, included for search clarity)
EINECS	Contact for details

Quality Control

Every batch of p-Tolyl-D7 Isocyanate is produced and analyzed under strict quality management protocols to ensure the highest isotopic and chemical purity required for analytical applications. Our products undergo rigorous quality testing, including NMR and mass spectrometry, to confirm deuterium incorporation and chemical identity. Certificates of Analysis (COA) detailing batch-specific purity, isotopic enrichment, and impurity profiles are available upon request.

Storage

Preserve in a tightly closed container, protected from light. Due to its highly volatile and hygroscopic (moisture-sensitive) nature, this material should be stored under an inert atmosphere (e.g., nitrogen or argon) in a cool, dry, and well-ventilated place. Recommended long-term storage temperature is 2-8°C. Allow the sealed container to equilibrate to room temperature before opening to minimize moisture ingress.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Identification (MS)	Conforms to structure
Purity (HPLC)	≥ 98.0% (chemical purity)
Isotopic Enrichment	≥ 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.