tritrimethylsilyl phosphate

• ChemBase ID: 148671
• Molecular Formular: C9H27O4PSi3
• Molecular Mass: 314.538541
• Monoisotopic Mass: 314.09547557
• SMILES: C[Si](C)(C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C
• Canonical SMILES: C[Si](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)(C)C
• InChI: InChI=1S/C9H27O4PSi3/c1-15(2,3)11-14(10,12-16(4,5)6)13-17(7,8)9/h1-9H3
• InChIKey: QJMMCGKXBZVAEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tritrimethylsilyl phosphate
• IUPAC Traditional name: tris(trimethylsilyl)phosphate
• Synonyms: Phosphoric acid tris(trimethylsilyl ester); Tris(trimethylsilyl) phosphate; 磷酸三(三甲基硅基)酯; 三(三甲基硅基)磷

Database IDs

• CAS Number: 10497-05-9
• EC Number: 234-028-1
• MDL Number: MFCD00008267
• Beilstein Number: 1794624
• PubChem SID: 162242846; 24856672
• PubChem CID: 25317

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.9279
• LogD (pH = 7.4): 4.9279
• Log P: 4.9279
• Molar Refractivity: 63.0296 cm^3
• Polarizability: 31.552826 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 3-4 °C(lit.)
• Boiling Point: 228-229 °C/720 mmHg(lit.)
• Flash Point: 13 °C; 55.4 °F
• Density: 0.945 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.409(lit.); n20/D 1.410

Safety Information

• RTECS: TC9700000
• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 1993
• German water hazard class: 2
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-36/37/38
• Safety Statements: 16-26-36
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H315-H319-H335
• GHS Precautionary statements: P210-P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 2

Product Information

• Purity: ≥98%; ≥98.0% (GC)
• Grade: purum
• Linear Formula: [(CH3)3SiO]3P(O)

DETAILS

Sigma Aldrich - 275794

Packaging
5, 25 g in glass bottle

Sigma Aldrich - 93409

Other Notes
Silylated intermediate.; Co-catalyst for the epoxidation of allyl- and homoallyl trimethylsilyl ethers with tert-butyl trimethylsilyl peroxide1