Di((2H3)methyl) sulphate
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Basic information
- CAS
15199-43-6- Standard SMILES
[2H]C([2H])([2H])OS(=O)(=O)OC([2H])([2H])[2H]- InChIKey
VAYGXNSJCAHWJZ-WFGJKAKNSA-N- Molecular formula
- C2H6O4S
- Average molar mass
- 132.17 g/mol
- Monoisotopic mass
- 132.03634032
Names & identifiers
- Preferred name
- Di((2H3)methyl) sulphate
- IUPAC
- bis(trideuteriomethyl) sulfate
- English name
- DIMETHYL-D6 SULFATE
- Molecular formula
- C2D6O4S
- Molecular weight
- 132.17
Names & synonyms
Dimethyl sulfate-d615199-43-6Di((2H3)methyl) sulphateMethan-d3-ol, sulfate (2:1)EINECS 239-257-0Di[(2H3)methyl] sulphateDTXSID90164923RefChem:585928DTXCID8087414239-257-0Dimethylsulfate-d6bis(trideuteriomethyl) sulfate
Show more names
99.5atom%dDIMETHYL SULFATE D6d6-dimethyl sulfateMethan-d3-ol sulfate(Methyl sulfate)-d6[2H6]-Dimethyl SulfateBis[(2H3)methyl] sulfate
DIMETHYL-D6 SULFATESulfuric Acid Dimethyl Ester-d6; Dimethyl Sulphate-d6; Methyl Sulfate-d6; NSC 56194-d6;Dimethyl sulfate-d?di(?H?)methyl sulfateSCHEMBL704029VAYGXNSJCAHWJZ-WFGJKAKNSA-NBis[(~2~H_3_)methyl] sulfateDimethyl sulfate-d6, 99 atom % D
Database identifiers
- CAS
15199-43-6- PubChem CID
- 84832
- DTXSID
DTXSID90164923- EC Number
- 239-257-0
- Nikkaji
- J218.374I
Properties
Computed structural propertiesFilling in
- XLogP
- -0.3
- Topological polar surface area
- 61 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 107
Physicochemical properties
- Melting point
- -32 °C · -32 °C(lit.)
- Boiling point
- 188 °C · 188 °C(lit.)
- Density
- 1.397 g/mL · 1.397 g/mL at 25 °C
- vapor density
- 4.3 · 4.3 (vs air)
- vapor pressure
- 0.7 mm · 0.7 mm Hg ( 25 °C)
- refractive index
- 20 · n20/D 1.385(lit.)
- Flash point
- 182 °F · 182 °F
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- 28 g/l · 28g/l Hydrolysis
- form
- Liquid
- color
- Clear colorless
- explosive limit
- 3.6 · 3.6-23.2%(V)
- CAS DataBase Reference
- 15199 · 15199-43-6
- CAS Number Unlabeled
- 77 · 77-78-1
- Symbol(GHS)
- 5 · GHS05,GHS06,GHS08
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P203, P260, P261, P264, P270, P271, P272, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P318, P320, P321, P330, P333+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationDimethyl sulfate-D6: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- wgk
- 3
- ridadr
- UN 1595 6.1/PG 1
- hs_code
- 28459010
- risk_code
- 45-25-26-34-43-68
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06,GHS08
- hazard_code
- T+
- safety_code
- 53-45
- Hazard statements
- H301-H314-H317-H330-H341-H350
- Autoignition Temperature
- 923 °F
- Precautionary statements
- P202-P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
Chemistry & industry
Applications
UsesDimethyl 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.
UsesLabelled 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.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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