1070-74-2

Basic information

• Product Name: ACETYLENE-D2
• Synonyms: C2D2;Ethyne-d2;ACETYLENE-D2;Acetylene-D2 (gas);(1,2-2H2)Ethyne;(2H2)Acetylene;(2H2)Ethyne;1,2-dideuterioacetylene
• CAS NO: 1070-74-2
• Molecular Formula: C₂H₂
• Molecular Weight: 28.05
• Mol File: 1070-74-2.mol
• Article Data: 37

Chemical Properties

• Appearance: /
• Density: 0.612 g/cm³
• Vapor Pressure: 69700mmHg at 25°C
• Refractive Index: 1.315
• CAS DataBase Reference: ACETYLENE-D2(CAS DataBase Reference)
• NIST Chemistry Reference: ACETYLENE-D2(1070-74-2)
• EPA Substance Registry System: ACETYLENE-D2(1070-74-2)

Safety Data

• Hazardous Substances Data: 1070-74-2(Hazardous Substances Data)

Usage

General Description

ACETYLENE-D2, also known as deuterated acetylene, is a chemical compound composed of two deuterium atoms and two carbon atoms bonded together in a triple bond. It is a stable and colorless gas that is slightly lighter than air and is often used in scientific research and spectroscopy. ACETYLENE-D2 is an important tool for studying chemical reactions and molecular structures due to the isotopic substitution of hydrogen with deuterium, allowing for more precise and accurate measurements. It is also used as a tracer in chemical and biological research, as well as in the production of pharmaceuticals and specialty chemicals.

InChI:InChI=1/C2H2/c1-2/h1-2H/i1D,2D

Upstream product

• 2813-62-9 (Z)-1,2-Dideuterioethylen 
• 683-73-8 Ethylene-d4 
• 16873-17-9 deuterium 
• 74-86-2 acetylene cation radical 
• 7789-20-0 water-d2 
• 75-20-7 calcium carbide 
• 74-86-2 acetylene 
• 34346-16-2 phenyl-d5 
• 1076-43-3 benzene-d6 
• 865-50-9 iodomethane-d3 
• 1517-53-9 (E)-ethene-1,2-d2 
• 2143-69-3 deuterated vinylidene radical 
• 75-20-7 calcium carbide 
• 917-54-4 methyllithium 

Downstream Products

• 1632-89-9 acetaldehyde-d4 
• 4666-78-8 1-bromo-1 ,2,2-trideuterioethylene 
• 33685-54-0 1,1,2,2-tetrachloroethane-d₂ 
• 666-52-4 [⁽²⁾H₆]acetone 
• 1517-53-9 (E)-ethene-1,2-d2 
• 1632-99-1 ethane-d6 
• 683-73-8 Ethylene-d4 
• 22581-63-1 1,2-dibromoethane-d4 
• 1076-43-3 benzene-d6 
• 2037-26-5 ⁽²⁾H₈-toluene 
• 1146-65-2 naphthalene-d8 
• 1718-52-1 pyrene-d10 
• 81103-79-9 9H-fluorene-d₁₀ 
• 2210-34-6 acetylene-d1 

Relevant articles and documents

-

-

Mechanistic studies on platinum(II) catalyzed hydroarylation of alkynes

The dicationic acetylene platinum(II) complex [Pt(PNP)(C2H 2)](BF4)2 (PNP = 2,6- bis(diphenylphosphinomethyl)pyridine) was generated in situ by ligand substitution from the ethylene complex [Pt(PNP)(C2/sub

MICROWAVE ROTATIONAL SPECTRUM AND PROPERTIES OF HYDROGEN-BONDED DIMER FORMED BY TRIMETHYLAMINE AND ACETYLENE

The rotational spectra of the four isotopic species (CH3)3-14N...HCCH, (CH3)3-14N...DCCH, (CH3)3-14N...HCCD and (CH3)3-14N...DCCD of a hydrogen-bonded dimer formed between trimethylamine and acetylene have been observed by pulsed-nozzle, Fourier-transform microwave spectroscopy.The ground-state spectroscopic constants determined for these symmetric-top molecules are: For (CH3)3-14N...HCCH it has been established that the 14N-nuclear quadrupole coupling constant varies linearly with K2 according to χ(K) = χ(K = 0) + (6.6*10-3)K2 MHz.The following molecular properties have been determined for the dimer from the spectroscopic constants: r(N...C) = 3.254(4) Angstroem, θav = 15.43(9) deg and k? = 5.82(2) N m-1.

Carbon-Carbon Bond Formation in the Reaction of Calcium Atoms with Ethers

-

The phenylcyclooctatetraene anion radical and dianion: An intramolecular charge and spin distribution isotope effect

EPR studies on the anion radicals and 13C NMR studies of the dianions of phenylcyclooctatetraene ([6]-[8]), phenylcyclooctatetraene-d7, and phenyl-d5-cyclooctatetraene show that deuteriation of the cyclooctatetraenyl moiety perturbs and phenyl group spin and charge distributions in the anion radical and dianion, respectively. However, deuteriation of the phenyl moiety does not alter these distributions in the cyclooctatetraenyl moiety. The upfield shift in the chemical shifts of the phenyl carbons in the dianion and the increased spin density in the phenyl moiety in the anion radical, resulting from deuteriation of the eight-membered ring, is explained in terms of the different degrees of twist between the COT and phenyl rings. Since there is more zero-point energy in the coplanar arrangement and the force constant for C-D or C-H stretching mode should be maximized in a coplanar arrangement, [6]-[8]*- will tend to be more twisted than will [6]-[8]-d7*-. The deuteriation studies have further shown that the nature of the spin distribution in the anion radical of [6]-[8] has long been fundamentally misunderstood.

-

-

The Steric Course of the Reaction of Ethylene Oxide with Hydrogen Halides in the Gas Phase

The steric course of the gas-phase reaction of trans-ethylene oxide with HF, HCl, and HBr was investigated in order to test experimentally a mechanistic proposal based on ab initio calculations involving a concerted syn-opening mechanism.In contrast with this proposal the reactions with HCl and HBr take place entirely with anti-opening of the ring to give erythro-2-chloro- and 2-bromoethanol.The reaction of ethylene oxide with gaseous HF yields only 5percent 2-fluoroethanol, 37percent dioxan, oligomers and polymers being the main products.An inproved method for the conversion of cis- and trans-ethylene into the corresponding epoxides is described.

Isolated Fe(III)-O Sites Catalyze the Hydrogenation of Acetylene in Ethylene Flows under Front-End Industrial Conditions

The search for simple, earth-abundant, cheap, and nontoxic metal catalysts able to perform industrial hydrogenations is a topic of interest, transversal to many catalytic processes. Here, we show that isolated FeIII-O sites on solids are able to dissociate and chemoselectively transfer H2 to acetylene in an industrial process. For that, a novel, robust, and highly crystalline metal-organic framework (MOF), embedding FeIII-OH2 single sites within its pores, was prepared in multigram scale and used as an efficient catalyst for the hydrogenation of 1% acetylene in ethylene streams under front-end conditions. Cutting-edge X-ray crystallography allowed the resolution of the crystal structure and snapshotted the single-atom nature of the catalytic FeIII-O site. Translation of the active site concept to even more robust and inexpensive titania and zirconia supports enabled the industrially relevant hydrogenation of acetylene with similar activity to the Pd-catalyzed process.

The Anion Radical of Bicyclononatriene

The low-temperature potassium metal reduction of bicyclonona-2,4,6-triene (BCN) in DME leads to the formation of the previously observed open form of the homocyclooctatetraene anion radical (HCOT anion radical).Careful inspection of the EPR spectra recorded from these solutions, and some of those previously published, shows the presence of another species.This second species is best interpreted using a set of methylene proton coupling constants very similar to those of HCOT anion radical (all within 10percent) but much smaller endo and exo bridgehead coupling constants.Perdeuteriation of of the sp2 carbons supports this interpretation.The only reasonable interpretation of the hyperfine pattern observed for the second anion radical is in terms of the closed (bicyclic) form.The closed anion radical (BCN anion radical) is favored under conditions involving more ion association and more complete reduction.

Deuterium Isotope Effects on Nuclear Shielding. Directional Effects and Nonadditivity in Acyl Derivatives

Deuterium isotope effects on the 19F and 13C nuclear shieldings have been investigated in acyl derivatives.A nonadditivity of the 3ΔF(D) of acetyl fluoride has been experimentally established and related primarily to nonuniform rotamer distributions of the mono- and dideuteriated isotopomers.The 3ΔF(D)'s show furthermore a distinct orientational dependence.The isotope effects for the configurations where the nuclei in question are in a trans position are positive and those in which they are gauche are negative.The 2ΔCO(D)'s are negative and additive in all the investigated cases.The observed isotope effects are discussed in general in terms of substituent and vibrational effects.

Collisional Quenching of Excited Vinylidene (3B2) Radicals

Rate constants for the removal of excited-state vinylidene D2CC (3B2) in the presence of He, Ar, N2, H2, CO, and CH4 are reported at room temperature.The excited vinylidene radicals are generated via vacuum-ultraviolet photolysis of mixtures of C2D3Cl in the quencher gases through the reeaction sequence C2D3Cl -> C2D3Cl*; C2D3Cl* -> D2CC (3B2) + DCl.Excited triplet vinylidene radicals are then collisionally quenched to the singlet ground state with undergoes rapid isomerization to acetylene.Rate constants for removal of D2CC (3B2) by quenchers are determined by observation of the time-resolved absorption of either D2CC (3B2) at 137 nm or product C2D2 at 151 nm.The observed quenching rate constants for the deuterated species are kHe = (1.9 +/- 0.3) * 10-15, kAr = (6.64 +/- 0.3) * 10-15, kN2 = (8.5 +/- 0.2) * 10-15, kH2 = (33.8 +/- 6.1) * 10-15, kCO = (28.0 +/- 8.0) * 10-15, and kCH4 = (28.0 +/- 8.0) * 10-15 cm3 molecule-1 s-1.No evidence for chemical reaction could be observed.The derived quenching cross sections are correlated with the potential well depth model.This correlation is valuable in predicting nonreactive collisional cross sections for additional gases.

The kinetics of the H2 (D2) loss from C2H4+ (C2D4+) ions

The unimolecular H2/D2 loss from C2H4+/C2D4+ ions has been investigated in a threshold photoelectron photoion coincidence spectrometer with electron time of flight discrimination. The experiment shows that the reaction takes place on the microsecond timescale, i.e. is metastable right at the threshold. The experimental breakdown curve for d4-ethene is shifted by 103 meV to a higher excitation energy compared to h4-ethene. The entire breakdown curves were simulated based on model k(E) curves. Best agreement between experiment and simulation was observed for threshold values of k(E0) = 7.0 x 105 s-1 for h4-ethene and k(E0) = 2.5 x 104 s-1 for d4- ethene.

Deuteration and dimerization of acetylene with a nieuwland catalyst in deuterium oxide

Efficient deuteration and dimerization of acetylene have been readily attained in deuterium oxide with a Nieuwland catalyst which is practically used for dimerization of acetylene. Copyright