2-Aminophenol-d7 | CAS 95-55-6

OVERVIEW
2-Aminophenol-d₇ is the fully deuterated analog of 2-aminophenol, a compound consisting of an amino and hydroxyl group attached to a benzene ring in ortho positions. In this deuterated form, all hydrogen atoms are replaced with deuterium, producing a +7 Da increase in molecular mass while retaining identical structural and chemical properties to the non-deuterated form.

2-Aminophenol is a versatile aromatic amine and phenol derivative widely used in pharmaceutical, dye, and polymer industries. The deuterated variant, 2-aminophenol-d₇, serves as a stable isotope-labeled compound for analytical, spectroscopic, and kinetic studies. It is especially useful in mass spectrometry, metabolic research, and reaction mechanism analysis, where isotopic labeling provides precision and insight without altering molecular behavior.

CHEMICAL INFORMATION

• Name: 2-Aminophenol-d₇

• Molecular Formula: C₆D₇NO

• Molecular Weight: 116.17 g/mol

• CAS Number: 95-55-6

• Isotopic Enrichment: ≥ 98 atom % D

• Chemical Class: Deuterated aromatic amine and phenol compound

• Stability: Stable under recommended conditions; may oxidize slowly upon air exposure

APPLICATIONS  of  2-Aminophenol-d7 | CAS 95-55-6

• Analytical Chemistry & Mass Spectrometry:
  2-Aminophenol-d₇ is widely used as a stable isotope-labeled internal standard in LC-MS and GC-MS analysis for the accurate quantification of 2-aminophenol in complex mixtures, environmental samples, and biological matrices. The +7 Da isotopic difference allows precise differentiation from the unlabeled form.

• Pharmaceutical Research & Drug Metabolism:
  Acts as a tracer molecule in the study of drug metabolism, biotransformation, and degradation pathways involving aromatic amines and phenolic intermediates. It helps elucidate enzymatic oxidation and conjugation mechanisms in vivo and in vitro.

• Organic Synthesis & Isotope Labeling:
  Serves as an intermediate for the synthesis of deuterated drugs, dyes, and fine chemicals. The deuterium substitution is particularly valuable in kinetic isotope effect (KIE) studies to investigate reaction mechanisms and hydrogen transfer processes.

• Spectroscopic & Structural Analysis:
  Deuterium incorporation simplifies ¹H NMR spectra and provides insight into molecular structure and dynamics through ²H NMR studies. It is also used for calibrating analytical instruments and validating isotopic fractionation studies.

• Environmental & Toxicological Studies:
  Utilized in tracing and quantifying phenolic and aminated pollutants during environmental degradation studies, supporting isotopic fingerprinting and pollutant source identification.

ADVANTAGES  of  2-Aminophenol-d7 | CAS 95-55-6

• High isotopic enrichment (≥ 98 atom % D) for precise analytical distinction.

• Chemically identical to unlabeled 2-aminophenol, ensuring consistent reactivity and solubility.

• Reliable standard for isotope dilution mass spectrometry (IDMS).

• Facilitates kinetic and mechanistic investigations in organic and biochemical systems.

• Non-radioactive and environmentally safe isotopic tracer.

HANDLING

• Hazards: May cause irritation to skin, eyes, and respiratory tract; avoid contact and inhalation.

• Precautions: Handle under dry, inert atmosphere using protective gloves, eyewear, and lab coat. Avoid prolonged exposure to air and moisture.

• Storage: Keep container tightly closed, stored in a cool, dry, and dark place under inert gas.

• Disposal: Dispose of according to institutional and regional regulations for organic chemical waste.

QUALITY & SPECIFICATION

• Chemical Purity: ≥ 98 %

• Isotopic Enrichment: ≥ 98 atom % D

• Water Content: ≤ 0.5 %

• Analytical Verification: Characterized by ¹H NMR (absence of proton peaks), ²H NMR, IR, and LC-MS analysis

• Appearance: Off-white crystalline solid

• Documentation: Supplied with a Certificate of Analysis detailing purity, isotopic enrichment, and analytical data

SUMMARY
2-Aminophenol-d₇ (CAS 95-55-6) is a high-quality deuterated compound used extensively in analytical chemistry, pharmaceutical development, and mechanistic organic research. It provides isotopic precision in quantitative studies, aids in the exploration of hydrogen-exchange mechanisms, and enhances NMR spectral clarity. With excellent stability and isotopic enrichment, 2-aminophenol-d₇ is an essential reagent for laboratories specializing in isotopic labeling, reaction kinetics, and mass spectrometric analysis.

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