trimethyl(phosphooxy)silane

• ChemBase ID: 149892
• Molecular Formular: C3H9O3PSi
• Molecular Mass: 152.161021
• Monoisotopic Mass: 152.00585731
• SMILES: C[Si](C)(C)OP(=O)=O
• Canonical SMILES: C[Si](OP(=O)=O)(C)C
• InChI: InChI=1S/C3H9O3PSi/c1-8(2,3)6-7(4)5/h1-3H3
• InChIKey: YSVQLWJDHYBITL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trimethyl(phosphooxy)silane
• IUPAC Traditional name: trimethyl(phosphooxy)silane
• Synonyms: PPSE; Polyphosphoric acid trimethylsilyl ester; Trimethylsilyl polyphosphate; 多聚磷酸三甲硅酯; 三甲基硅多磷酸盐

Database IDs

• CAS Number: 40623-46-9
• MDL Number: MFCD00148705
• PubChem SID: 24865884; 162244054; 24887756
• PubChem CID: 16133246

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.2775
• LogD (pH = 7.4): 1.2775
• Log P: 1.2775
• Molar Refractivity: 28.4123 cm^3
• Polarizability: 13.175839 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 39.2 °F; 4 °C
• Density: 1.18 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.434

Safety Information

• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-36/37/38
• Safety Statements: 26
• 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
• Storage Temperature: 2-8°C

Product Information

• Linear Formula: {-P(=O)[OSi(CH3)3]O-}n

DETAILS

Sigma Aldrich - 414026

Packaging
25, 100 mL in glass bottle

Sigma Aldrich - 81345

Other Notes
Versatile reagent used for many reactions involving dehydration; e.g. substitutions, rearrangements, condensations1,2