Trimethylsilyl methanesulfonate
Basic information
- CAS
10090-05-8- Standard SMILES
C[Si](C)(C)OS(C)(=O)=O- InChIKey
BCHASIUOFGDRIO-UHFFFAOYSA-N- Molecular formula
- C4H12O3SSi
- Average molar mass
- 168.29 g/mol
- Monoisotopic mass
- 168.02764195
Names & identifiers
- Preferred name
- Trimethylsilyl methanesulfonate
- IUPAC
- trimethylsilyl methanesulfonate
- English name
- TRIMETHYLSILYL METHANESULFONATE
- Molecular formula
- C4H12O3SSi
- Molecular weight
- 168.29
Names & synonyms
Trimethylsilyl methanesulfonate10090-05-8TrimethylsilylmethanesulfonateSilanol, trimethyl-, methanesulfonateDTXSID70905831TMS-MSRefChem:899910DTXCID901334932233-220-2(Trimethylsilyl)methanesulfonateMFCD00042815Silanol, 1,1,1-trimethyl-, 1-methanesulfonate
Show more names
Trimethylsilyl mesylateTriMethylsilyl MethanesulfonatMethylsulfonyloxytrimethylsilaneTriMethylsilyl Methanesulfonate,puruM(Trimethylsilyl)methanesulfonate >=97%Methanesulfonic acid trimethylsilyl esterSilanol,1,1,1-trimethyl-, 1-methanesulfonate
Methanesulfonic acid, TMS derivativeC4H12O3SSiTrimethylsilyl methanesulphonateEINECS 233-220-2CH3SO3Si(CH3)3Trimethylsilyl methansulfonateSCHEMBL537775AKOS015852399
Database identifiers
- CAS
10090-05-8- PubChem CID
- 82345
- DTXSID
DTXSID70905831- EC Number
- 233-220-2
- Nikkaji
- J241.261F
Properties
Computed structural properties
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 171
Physicochemical properties
- Melting point
- 103 · 103-104 °C
- Boiling point
- 103 · 103-104 °C/25 mmHg (lit.)
- Density
- 1.09 g/mL · 1.09 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.422(lit.)
- Flash point
- 30 °C · 30°C
- storage temp.
- 2 · 2-8°C
- form
- liquid
- Specific Gravity
- 0.826 · 0.826
- Appearance
- Colorless to light yellow Liquid
- Hydrolytic Sensitivity
- 7 · 7: reacts slowly with moisture/water
- BRN
- 2076698 · 2076698
- InChI
- 1S/C4H12O3SSi/c1-8(5,6)7-9(2,3)4/h1-4H3
- InChIKey
- BCHASIUOFGDRIO-UHFFFAOYSA-N
- SMILES
- C[Si](C)(C)OS(C)(=O)=O
- UNSPSC Code
- 12352001 · 12352001
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02
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
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- F
- 10-21
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- No
- ridadr
- UN 3272 3/PG 2
- risk_code
- 10
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- safety_code
- 23-24/25
- hazard_class
- 3.1
- Storage Class
- 3 - Flammable liquids
- packing_group
- II
- Hazard statements
- H226
- Hazard Classifications
- Flam. Liq. 3
Chemistry & industry
Applications
UsesReactant or reagent involved in:Reduction of esters to ethers using boron difluoride triflate etherateElimination of C(8)-functional groups via regioselective dehydrationDealkylsilylation of alumazene derivatives
Upstream & downstream products
Downstream products
Suppliers
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Related reactions
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Compound notes
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