Di((2H3)methyl) sulphate

Base Information

• Chemical Name: Di((2H3)methyl) sulphate
• CAS No.: 15199-43-6
• Molecular Formula: C2D6 O4 S
• Molecular Weight: 132.086
• Hs Code.: 28459010
• European Community (EC) Number: 239-257-0
• DSSTox Substance ID: DTXSID90164923
• Nikkaji Number: J218.374I
• Wikidata: Q83034017
• Mol file: 15199-43-6.mol

Synonyms:15199-43-6;Di((2H3)methyl) sulphate;Dimethylsulfate-d6;Dimethyl sulfate-d6;bis(trideuteriomethyl) sulfate;Methan-d3-ol, sulfate (2:1);EINECS 239-257-0;Di[(2H3)methyl] sulphate;Dimethyl Sulfate D6;di(?H?)methyl sulfate;C2D6O4S;SCHEMBL704029;DTXSID90164923;C2-D6-O4-S;Dimethyl sulfate-d6, 99 atom % D;MFCD00044221;AKOS015916102;CS-T-53361

Chemical Property of Di((2H3)methyl) sulphate

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 0.7 mm Hg ( 25 °C)
• Melting Point: -32 °C(lit.)
• Refractive Index: n20/D 1.385(lit.)
• Boiling Point: 188 °C(lit.)
• Flash Point: 182 °F
• PSA: 60.98000
• Density: 1.397 g/mL at 25 °C
• LogP: 0.60480
• Storage Temp.: Store below +30°C.
• Solubility.: 28g/l Hydrolysis
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 132.03634032
• Heavy Atom Count: 7
• Complexity: 107

Purity/Quality:

98% atom D ^*data from raw suppliers

Dimethyl Sulfate-d6 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T+
• Hazard Codes: T+
• Statements: 45-25-26-34-43-68
• Safety Statements: 53-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COS(=O)(=O)OC
• Isomeric SMILES: [2H]C([2H])([2H])OS(=O)(=O)OC([2H])([2H])[2H]
• Uses: Dimethyl Sulfate-D6 is commonly used as a reagent for the methylation of phenols, amines, and thiols. It is also an effective and widely used probe for sequence-specific protein-DNA interactions. Labelled analogue of Dimethyl Sulfate, a diester of methanol and sulfuric acid. Dimethyl Sulfate is commonly used as a reagent for the methylation of phenols, amines, and thiols. Dimethyl Sulfate is an effective and widely used probe for sequence-specific protein-DNA interactions.

Technology Process of Di((2H3)methyl) sulphate

There total 3 articles about Di((2H3)methyl) sulphate 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:

1,1,1-trideuteromethanol (1849-29-2) → d6-dimethyl sulfate (15199-43-6)

Guidance literature:

With sulfuric acid; sulfur trioxide; at 0 ℃;

Reference yield:

Trideutero-methylbromid (1111-88-2) → d6-dimethyl sulfate (15199-43-6)

Guidance literature:

With silver sulfate; at 100 ℃;

DOI:10.1139/v59-001

Reference yield:

→ d6-dimethyl sulfate (15199-43-6)

Guidance literature:

upstream raw materials:

1,1,1-trideuteromethanol

Trideutero-methylbromid

Downstream raw materials:

trans-diethylstilbsterol <5-methyl-2H3>monomethyl ether

1,5-diphenyl-3-trideuteriomethylthioformazan

1-methyl-D₃-5-phenyltetrazole

2-methyl-D₃-5-phenyltetrazole