Sulfuric acid-d2

Base Information

• Chemical Name: Sulfuric acid-d2
• CAS No.: 13813-19-9
• Molecular Formula: D2O4S
• Molecular Weight: 100.064
• Hs Code.: 28459000
• European Community (EC) Number: 237-464-0
• DSSTox Substance ID: DTXSID00929989
• Nikkaji Number: J134.314I
• Wikidata: Q82905175
• Mol file: 13813-19-9.mol

Synonyms:Sulfuric acid-d2;13813-19-9;dideuterio sulfate;Deuterosulfuric acid;EINECS 237-464-0;sulphuric [2h2]acid;Sulphuric (2H2)acid;Sulfuric Acid D2;(?H?)sulfuric acid;Dideuterosulfuric Acid;D2O4S;D2SO4;(~2~H_2_)Sulfuric acid;D2-O4-S;DTXSID00929989;MFCD00003542;(Deuterosulfuric acid);Sulfuric acid-d2, 98 wt% in Deuterium oxide;E79403;Sulfuric acid-D2 (D, 99%) 96-98% in D2O;Deuterosulfuric acid, 96% min in D{2}O, 99.5% (Isotopic)

Chemical Property of Sulfuric acid-d2

Chemical Property:

• Appearance/Colour: colourless oily liquid
• Vapor Pressure: 3.35E-05mmHg at 25°C
• Melting Point: -39℃
• Refractive Index: n20/D 1.423
• Boiling Point: 330 °C at 760 mmHg
• Flash Point: 290°C
• PSA: 82.98000
• Density: 2.245 g/cm³
• LogP: 0.42800
• Storage Temp.: Store below +30°C.
• Sensitive.: Moisture Sensitive
• Water Solubility.: Soluble in water
• XLogP3: -1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 99.97993321
• Heavy Atom Count: 5
• Complexity: 81.3

Purity/Quality:

98%,99%, ^*data from raw suppliers

Sulfuric acid-d2 solution 96-98?wt. % in D2O, 99.5 atom % D ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C,Xi
• Statements: 35-36/38
• Safety Statements: 26-30-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Toxic Gases & Vapors -> Acids, Inorganic
• Canonical SMILES: OS(=O)(=O)O
• Isomeric SMILES: [2H]OS(=O)(=O)O[2H]
• Uses: Deuterated sulfuric acid when treated with benzene, the deuterium is used in order to observe the reaction course by NMR spectroscopy, deuterated sulfuric acid results in an electrophilic aromatic substitution of hydrogen by deuterium.

Technology Process of Sulfuric acid-d2

There total 1 articles about Sulfuric acid-d2 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:

sulfur trioxide (7446-11-9) + water-d2 (7789-20-0) → sulfuric acid-d2 (13813-19-9)

Guidance literature:

deposition D2O/SO3/D2O sandwiches on Pt substrate at 90 K, annealing (180-260 K);

DOI:10.1021/jp962251t

Reference yield: 91.0%

graphite + pentacarbonyl[ethoxy(phenylethenyl)carbene]chromium(0) (104267-43-8) + sulfuric acid-d2 (13813-19-9) → [(CO)5Cr]2C6H4(2)H2(OC2H5)2(C6H5)2

Guidance literature:

In tetrahydrofuran; water-d2; C8K suspended in THF at -78°C, mixed with metal complex in THF at-78°C for 10 min, stirred, quenched with D2SO4(10%) at -78.degre e.C, warmed to 25°C for 30 min; adsorbed (neutral Al2O3), evapd.(vac.), filtered (SiO2/CH2Cl2);

DOI:10.1002/1521-3773(20020916)41:18<3442::AID-ANIE3442>3.0.CO;2-Z

Reference yield: 77.0%

((3,5-di-tert-butylphenyl)3C20D9N4)Ni + zinc(II) acetate dihydrate (5970-45-6) + sulfuric acid-d2 (13813-19-9) → ((3,5-di-tert-butylC6D3)3C20D9N4)Zn

Guidance literature:

In methanol; dichloromethane; addn. of D2SO4 to soln. of nickel compd. in CH2Cl2, stirring at room temp. for 5 min, washing with water and aqueous NaOH, addn. of zinc compd. in methanol, refluxing for 5 min; chromy. (silica, CH2Cl2), recrystn. (CH2Cl2) by layering with methanol, MAS;

DOI:10.1039/b700408g

upstream raw materials:

sulfur trioxide

water-d2

Downstream raw materials:

hydrogen

deuterium

diborane-d6

water-d2

Refernces

• 1、 Soltner, Theresa,H?usler, Jonas,Kornath, Andreas J.. "The Existence of Tricyanomethane". . p. 13775 - 13776. Retrieved 2015.