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Dimethyl sulfate-d₆ - 98 atom % D, high purity , CAS No.15199-43-6
Basic Description
Synonyms
Methan-d3-ol, sulfate (2:1) | Dimethylsulfate-d6 | bis(trideuteriomethyl) sulfate | Di((2H3)methyl) sulphate | Dimethyl sulfate-d6 | SCHEMBL704029 | DTXSID90164923 | EINECS 239-257-0 | di(?H?)methyl sulfate | AKOS015916102 | Dimethyl sulfate-d6, 99 atom %
Specifications & Purity
≥98 atom% D
Storage Temp
Store at 2-8°C,Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Organic sulfuric acids and derivatives
Subclass
Sulfuric acid esters
Intermediate Tree Nodes
Not available
Direct Parent
Sulfuric acid diesters
Alternative Parents
Alkyl sulfates Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic acyclic compounds
Substituents
Sulfuric acid diester - Alkyl sulfate - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as sulfuric acid diesters. These are organic compounds containing the sulfuric acid diester functional group with the generic structure ROS(OR')(=O)=O, (R,R'=organyl group).
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
Pubchem Sid
488186283
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488186283
IUPAC Name
bis(trideuteriomethyl) sulfate
INCHI
InChI=1S/C2H6O4S/c1-5-7(3,4)6-2/h1-2H3/i1D3,2D3
InChIKey
VAYGXNSJCAHWJZ-WFGJKAKNSA-N
Smiles
COS(=O)(=O)OC
Isomeric SMILES
[2H]C([2H])([2H])OS(=O)(=O)OC([2H])([2H])[2H]
WGK Germany
2
Molecular Weight
132.17
Reaxy-Rn
1710724
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1710724&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Refractive Index
1.385
Boil Point(°C)
188°C
Melt Point(°C)
-32°C
Molecular Weight
132.170 g/mol
XLogP3
-0.300
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
132.036 Da
Monoisotopic Mass
132.036 Da
Topological Polar Surface Area
61.000 Ų
Heavy Atom Count
7
Formal Charge
0
Complexity
107.000
Isotope Atom Count
6
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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D2306153
