Basic information
- CAS
10497-05-9- Standard SMILES
C[Si](C)(C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C- InChIKey
QJMMCGKXBZVAEI-UHFFFAOYSA-N- Molecular formula
- C9H27O4PSi3
- Average molar mass
- 314.54 g/mol
- Monoisotopic mass
- 314.09547594
Overview
Tris(trimethylsilyl) phosphate is an organosilicon compound that is phosphoric acid in which the three hydroxy groups are substituted by (trimethylsilyl)oxy groups. It is an organosilicon compound and a phosphoric acid derivative.
Names & identifiers
- Preferred name
- Tris(trimethylsilyl) phosphate
- IUPAC
- tris(trimethylsilyl) phosphate
- English name
- Tris(trimethylsilyl)phosphate
- Molecular formula
- C9H27O4PSi3
- Molecular weight
- 314.54
Names & synonyms
Tris(trimethylsilyl) phosphate10497-05-9Tris(trimethylsilyl)phosphateSilanol, trimethyl-, phosphate (3:1)CHEBI:144345DTXSID60909282RefChem:192149DTXCID601338347234-028-1Phosphoric Acid Tris(trimethylsilyl) EsterTris-(trimethylsilyl)fosfatMFCD00008267
Show more names
Phosphoric acid, TMSTRIS(TRIMETHYSILYL)PHOSPHATESilanol,trimethyl-,phosphate(3:1)DK028TIMTEC-BB SBB001292Phosphoric acid, triTMSTrimethylsilane phosphatePhosphoric acid, tris-TMS
PHOSPHORIC ACID, TRIS(TRIMETHYLSILYL) ESTERs21325C9H27O4PSi3Tris-(trimethylsilyl)fosfat [Czech]EINECS 234-028-1tritrimethylsilyl phosphateBRN 1794624Phosphoric acid tris(trimethylsilyl ester)
Database identifiers
- CAS
10497-05-9- PubChem CID
- 25317
- DTXSID
Properties
Computed structural properties
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 253
Experimental & physicochemical properties
SpringerMaterials Properties29Si nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- 3 · 3-4 °C (lit.)
- Boiling point
- 228 · 228-229 °C/720 mmHg (lit.)
- Density
- 0.945 g/mL · 0.945 g/mL at 25 °C (lit.)
- vapor pressure
- 23.3 hPa · 23.3hPa at 20℃
- refractive index
- 20 · n20/D 1.409(lit.)
- Flash point
- 76 °F · 76 °F
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 23 · 23-25(at 25℃)
- form
- liquid
- Specific Gravity
- 0.959 · 0.959
- color
- Colorless to Light yellow to Light orange
- Water Solubility
- 935.5 μg/L · 935.5μg/L at 20℃
- Hydrolytic Sensitivity
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
H225 (41.5%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P271, P273, P280, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 106 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: Tris(trimethylsilyl) phosphate (EC: 234-028-1)
Hazard Classes and CategoriesFlam. Liq. 2 (41.5%)
Safety data
- F
- 10-21
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- TC9700000
- ridadr
- UN 1993 3/PG 2
- hs_code
- 2931.90.9010
- risk_code
- 11-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- F,Xi
- safety_code
- 16-26-36
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationSilanol, 1,1,1-trimethyl-, 1,1',1''-phosphate: ACTIVE
Applications
UsesTris(trimethylsilyl) phosphite (TMSPi) is a film-forming additive for high voltage cathode material in lithium-ion batteries. Tris (trimethylsilyl) phosphate is cleaved by alkali-metal fluorides, nitrates, and acetates at give the trimethylsilyl esters of the corresponding acids.
General DescriptionTris(trimethylsilyl) phosphate has been investigated as a novel film-forming additive for LiNi0.5Co0.2Mn0.3O2 cycling at high cut-off potential in LiPF6-based electrolyte. Tris(trimethylsilyl) phosphate [Tris(trimethylsilyl) ester of phosphoric acid] undergoes dealkylsilylation reaction with alumazene to yield heteroadamantane molecule.
Preparation methods
PreparationTris(trimethylsilyl)phosphine is prepared by treating trimethylsilyl chloride, white phosphorus, and sodium-potassium alloy: 1/4 P4 + 3 Me3SiCl + 3 K → P(SiMe3)3 + 3 KCl
Upstream & downstream products
Upstream raw materials
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
湖北博杰生物科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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