dimethyl trimethylsilyl phosphite

• ChemBase ID: 146453
• Molecular Formular: C5H15O3PSi
• Molecular Mass: 182.230061
• Monoisotopic Mass: 182.0528075
• SMILES: COP(OC)O[Si](C)(C)C
• Canonical SMILES: COP(O[Si](C)(C)C)OC
• InChI: InChI=1S/C5H15O3PSi/c1-6-9(7-2)8-10(3,4)5/h1-5H3
• InChIKey: HWMXPTIFAGBDIK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl trimethylsilyl phosphite
• IUPAC Traditional name: dimethyl trimethylsilyl phosphite
• Synonyms: Dimethyl trimethylsilyl phosphite; 二甲基三甲硅基膦酸酯

Database IDs

• CAS Number: 36198-87-5
• EC Number: 252-908-3
• MDL Number: MFCD00075439
• Beilstein Number: 1849308
• PubChem SID: 24862029; 24866133; 162240649
• PubChem CID: 118926

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.3636994
• LogD (pH = 7.4): 2.3637
• Log P: 2.3637
• Molar Refractivity: 39.6203 cm^3
• Polarizability: 17.749222 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 36-37 °C/11 mmHg(lit.)
• Flash Point: 32 °C; 89.6 °F
• Density: 0.954 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.410; n20/D 1.410(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 2920
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 10-34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2920 8/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥96.0% (NMR); 95%
• Grade: purum
• Linear Formula: (CH3)3SiOP(OCH3)2

DETAILS

Sigma Aldrich - 358819

Packaging
10 mL in glass bottle

Sigma Aldrich - 41725

Other Notes
Phosphonylating and phosphorylating agent1,2