Description

Butadiyne-D2 is a deuterated isotopologue of butadiyne, where two hydrogen atoms are replaced by deuterium atoms, with the CAS registry number 16954-96-4. This isotopic labeling is critical for advanced spectroscopic studies and mechanistic investigations, providing a non-radioactive tracer with distinct spectral signatures. It is an essential reagent for researchers and manufacturers in pharmaceutical development, organic synthesis, and materials science, particularly for kinetic isotope effect studies and the synthesis of deuterated compounds.

Application

• Deuterium Labeling in Pharmaceutical Research: Used as a building block for synthesizing deuterated drug candidates to study metabolic pathways, improve pharmacokinetic profiles, and enhance patent life.
• Mechanistic Organic Chemistry Studies: Serves as a vital probe in kinetic isotope effect (KIE) experiments to elucidate reaction mechanisms and transition states.
• Spectroscopic Analysis & Standards: Employed in NMR, IR, and mass spectrometry as an internal standard or reference compound due to its distinct spectral properties.
• Advanced Materials Synthesis: A precursor for creating deuterated polymers, liquid crystals, and organic semiconductors where isotopic purity affects electronic and physical properties.
• Catalysis and Petrochemical Research: Used in modeling and tracing reaction pathways in catalytic processes relevant to fuel and chemical production.

Basic Information

Product Name	Butadiyne-D2
CAS No.	16954-96-4
Molecular Formula	C4D2
Molecular Weight	52.08 g/mol
Synonyms	1,3-Butadiyne-d2; Deuterated Butadiyne; Dideuteriobutadiyne; 1,3-Butadiyne-1,4-d2; Buta-1,3-diyne-d2; C4D2; Diacetylene-d2
EINECS	Contact for details

Quality Control

Every batch of Butadiyne-D2 is produced and analyzed under stringent quality protocols to ensure high isotopic and chemical purity. Our products undergo rigorous quality testing to ensure compliance with industry standards. Certificates of Analysis (COA) detailing parameters such as isotopic purity (D atom %), chemical assay, and impurity profiles are available upon request.

Storage

Preserve in a tightly closed container, protected from light. Due to its highly volatile and gaseous nature under standard conditions, this material must be stored in a certified gas cylinder or appropriate pressurized vessel in a cool, well-ventilated area, away from heat and ignition sources. Recommended storage temperature is 2-8°C for enhanced stability. Handle and store under an inert atmosphere to prevent decomposition.

Specification

Item	Specification
Appearance	Colorless Gas
Identification (IR)	Conforms
Isotopic Purity (D atom %)	≥ 98.0%
Chemical Purity (GC)	≥ 97.0%
Major Impurity (GC)	≤ 2.0%

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