4-Aminophenol-d7 | CAS 285132-88-9

OVERVIEW
4-Aminophenol-d₇ is a fully deuterated analog of 4-aminophenol, in which all seven exchangeable hydrogen atoms are replaced by deuterium. This isotopic substitution results in a +7 Da molecular weight shift while preserving the chemical and structural characteristics of the non-labeled 4-aminophenol. The compound is primarily used as a stable isotope-labeled standard in analytical chemistry, pharmaceutical research, and mechanistic organic studies.

4-Aminophenol is an important intermediate in the synthesis of various pharmaceuticals (such as paracetamol/acetaminophen), dyes, and photographic developers. The deuterated form, 4-aminophenol-d₇, is particularly valuable in mass spectrometric quantification, isotope dilution assays, and metabolic tracing, where the deuterium label provides a reliable isotopic marker without altering chemical reactivity.

CHEMICAL INFORMATION

• Name: 4-Aminophenol-d₇

• Molecular Formula: C₆D₇NO

• Molecular Weight: 116.167 g/mol

• CAS Number: 285132-88-9

• Isotopic Enrichment: ≥ 98 atom % D

• Chemical Class: Deuterated aromatic amine and phenol derivative

• Stability: Stable under normal laboratory conditions; sensitive to prolonged exposure to air and light due to potential oxidation

APPLICATIONS  of  4-Aminophenol-d7 | CAS 285132-88-9

• Analytical Chemistry & Mass Spectrometry:
  Used as a stable isotope-labeled internal standard in LC-MS and GC-MS methods for precise quantification of 4-aminophenol and its derivatives. The +7 Da mass difference enables accurate differentiation from the unlabeled compound.

• Pharmaceutical Research:
  Serves as a key isotopic tracer in studies related to paracetamol (acetaminophen) biosynthesis, metabolism, and degradation. It is also used in pharmacokinetic analyses to investigate metabolic pathways involving aromatic amines.

• Isotope Tracer and Reaction Mechanism Studies:
  Deuterium substitution helps elucidate reaction kinetics and mechanistic pathways, particularly in redox and electrophilic substitution reactions involving aromatic amines and phenols.

• Organic and Synthetic Chemistry:
  Functions as a labeled intermediate for the synthesis of deuterated drug molecules, dyes, and antioxidant compounds where controlled isotopic incorporation is required.

• Spectroscopic Studies:
  Deuterium labeling simplifies ¹H NMR spectra and enhances the interpretability of molecular structure and dynamics, providing useful data in ²H NMR spectroscopy.

ADVANTAGES  of  4-Aminophenol-d7 | CAS 285132-88-9

• High isotopic enrichment (≥ 98 atom % D) ensures accurate analytical reproducibility.

• Chemically identical to non-labeled 4-aminophenol—no alteration in reactivity or solubility.

• Enhances precision in isotope dilution mass spectrometry.

• Useful in kinetic isotope effect (KIE) studies for mechanistic evaluation.

• Non-radioactive and safe for use in laboratory and industrial applications.

HANDLING

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

• Precautions: Handle under dry, inert conditions using gloves and eye protection. Prevent oxidation by minimizing air exposure.

• Storage: Store in cool, dry, and dark conditions, preferably under nitrogen or argon atmosphere.

• Disposal: Dispose of in accordance with institutional and local regulations for organic chemical waste.

QUALITY & SPECIFICATION

• Chemical Purity: ≥ 98 %

• Isotopic Enrichment: ≥ 98 atom % D

• Water Content: ≤ 0.5 %

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

• Appearance: White to off-white crystalline solid

• COA Availability: Supplied with batch-specific Certificate of Analysis for purity and isotopic content

SUMMARY
4-Aminophenol-d₇ (CAS 285132-88-9) is a high-purity, fully deuterated analog of 4-aminophenol, extensively used in isotope-labeled analytical and pharmaceutical research. Its deuterium substitution enables precise MS quantification, facilitates mechanistic studies, and aids in the synthesis of labeled drug intermediates. Owing to its stability, isotopic precision, and versatility, it is an essential reagent in analytical chemistry, pharmaceutical metabolism studies, and kinetic isotope effect research.

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