Deuterium hydride

Base Information

• Chemical Name: Deuterium hydride
• CAS No.: 16873-17-9
• Molecular Formula: D
• Molecular Weight: 4
• European Community (EC) Number: 237-773-0
• DSSTox Substance ID: DTXSID001027186
• Wikipedia: Hydrogen_deuteride
• Wikidata: Q1444906
• Mol file: 16873-17-9.mol

Synonyms:Deuterium hydride;deuterium monohydride;Hydrogen deuteride;13983-20-5;Deuterium, atomic;EINECS 237-773-0;deuterio;16873-17-9;hidrogeno pesado;Hydrogen-d1;schwerer Wasserstoff;CHEBI:29237;DTXSID001027186;Deuterium, mol. with hydrogen (HD);(2)H;(2)1H;Q1444906;Deuterium hydride, extent of labeling: 96 mol% DH, 98 atom % D

Chemical Property of Deuterium hydride

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 0.00000
• Density: g/cm³
• LogP: 0.00000
• XLogP3: 0
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 3.0219268097
• Heavy Atom Count: 0
• Complexity: 0

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Toxic Gases & Vapors -> Simple Asphyxiants
• Canonical SMILES: [HH]
• Isomeric SMILES: [2HH]

Technology Process of Deuterium hydride

There total 237 articles about Deuterium hydride which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 97.0%

iron(1,3-butadiene)(1+) (777920-07-7,102307-52-8) + acetylene-d2 (1070-74-2) → hydrogen (1333-74-0) + deuterium hydride + deuterium (16873-17-9,12184-84-8)

Guidance literature:

react. in MS-Fourier transform spectrometer under Ar;

DOI:10.1021/ja00047a060

Reference yield: 90.0%

niobocene trihydride (11105-67-2) + benzene-d6 (1076-43-3) → hydrogen (1333-74-0) + deuterium hydride + deuterium (16873-17-9,12184-84-8)

Guidance literature:

In benzene-d6; Irradiation (UV/VIS); irradn. with 450-W Hanovia lamp for 36 h at 15°C (Ar); not isolated, detected by MS;

DOI:10.1021/ja00385a015

Reference yield: 84.0%

[1.1]ferrocenophane + deuterium cation → {Fe(C5(2)H4)2CH2}2 + hydrogen (1333-74-0) + deuterium hydride + deuterium (16873-17-9,12184-84-8)

Guidance literature:

In further solvent(s); React. of Fn in 3-methylsulfolane (3MS) with deuteriated acid mixt.; Quenching of react. (liq. N2), periodical removal of evolved H2, quenching in aq. soln. of SnCl2, extn. of reduced Fn (Et2O) and evapn. of Et2O.; Kinetics;

DOI:10.1021/om00095a008

upstream raw materials:

water

methane

water-d2

sodium

Downstream raw materials:

water-d2

water

hydrogen

molybdenum

Refernces

• 1、 Zhou, Junjie,Huang, Yu,Shen, Jialu,Liu, Xiang. "Pd/C-Catalyzed H2 Evolution from Tetrahydroxydiboron Hydrolysis". . p. 3004 - 3010. Retrieved 2021/02/12.
• 2、 álvarez, Eleuterio,López-Serrano, Joaquín,Ortega-Lepe, Isabel,Rendón, Nuria,Rossin, Andrea,Sánchez, Práxedes,Santos, Laura L.,Suárez, Andrés. "Ammonia-Borane Dehydrogenation Catalyzed by Dual-Mode Proton-Responsive Ir-CNNHComplexes". . p. 18490 - 18502. Retrieved 2021/12/01.