73385-31-6

Basic information

• Product Name: 1,6-dideuteriohexa-1,5-diyne
• Synonyms: 1,6-dideuteriohexa-1,5-diyne
• CAS NO: 73385-31-6
• Molecular Formula: C6H6
• Molecular Weight: 0
• Mol File: 73385-31-6.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 86.2°C at 760 mmHg
• Appearance: /
• Density: 0.842g/cm³
• Vapor Pressure: 75.3mmHg at 25°C
• Refractive Index: 1.448
• CAS DataBase Reference: 1,6-dideuteriohexa-1,5-diyne(CAS DataBase Reference)
• NIST Chemistry Reference: 1,6-dideuteriohexa-1,5-diyne(73385-31-6)
• EPA Substance Registry System: 1,6-dideuteriohexa-1,5-diyne(73385-31-6)

Safety Data

• Hazardous Substances Data: 73385-31-6(Hazardous Substances Data)

Usage

Type of Compound

Alkyne

Deuterium Content

Contains two deuterium atoms

Deuterated Derivative

Hexa-1,5-diyne

Application

Organic synthesis and chemical research

Function

Label or tracer for tracking molecular movement and transformation

Unique Properties

Stable nature and valuable tool for studying organic compounds

Nuclear Magnetic Resonance (NMR)

Deuterium atoms can be used for NMR spectroscopy experiments

Information Provided by NMR

Structure and behavior of the molecule

InChI:InChI=1/C6H6/c1-3-5-6-4-2/h1-2H,5-6H2/i1D,2D

Upstream product

• 628-16-0 hexa-1,5-diyne 

Relevant articles and documents

CONFORMATION AND VIBRATIONAL SPECTRA OF 1,5-HEXADIYNE (BIPROPARGYL) AND 1,5-HEXADIYNE-1,6-d2

The infrared spectra of 1,5-hexadiyne (bipropargyl) and 1,5-haxediyne-1,6-d2 as vapours, liquids, as solutes in various solvents and as crystalline solids at low temperatures and at high pressures have been recorded.Raman spectra were obtained for the liquids, including semiquantitative polarization measurements, and for the low temperature crystals.The data were interpreted in terms of two conformers, anti and gauche, in the vapour and liquid state and one, the anti, in the crystalline forms.A phase transition for 1,5-hexadiyne was observed at ca. 240 K.Both the high and low temperature crystals had molecules in the anti conformer.Interpretation of the spectra in terms of conformational equilibria was facilitated by a thorough vapour phase band contour analysis.With a few exceptions, all the vibrational fundamentals for both conformers were assigned and found to be in good agreement with results from normal coordinate calculations.