diethyl trimethylsilyl phosphite

• ChemBase ID: 138233
• Molecular Formular: C7H19O3PSi
• Molecular Mass: 210.283221
• Monoisotopic Mass: 210.08410763
• SMILES: CCOP(OCC)O[Si](C)(C)C
• Canonical SMILES: CCOP(O[Si](C)(C)C)OCC
• InChI: InChI=1S/C7H19O3PSi/c1-6-8-11(9-7-2)10-12(3,4)5/h6-7H2,1-5H3
• InChIKey: ATRMOIYYLVRRBZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diethyl trimethylsilyl phosphite
• IUPAC Traditional name: diethyl trimethylsilyl phosphite
• Synonyms: Phosphorous acid diethyl trimethylsilylester; Diethyl trimethylsilyl phosphite; 亚磷酸三甲硅基二乙酯; 二乙基三甲基硅基亚磷酸酯

Database IDs

• CAS Number: 13716-45-5
• EC Number: 237-268-5
• MDL Number: MFCD00464673
• Beilstein Number: 956598
• PubChem SID: 24863411; 162232491
• PubChem CID: 83682

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.0486972
• LogD (pH = 7.4): 3.0486999
• Log P: 3.0487
• Molar Refractivity: 49.1175 cm^3
• Polarizability: 21.401814 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 58-59 °C/10 mmHg(lit.)
• Flash Point: 33 °C; 91 °F
• Density: 0.921 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.413(lit.)

Safety Information

• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10
• Safety Statements: 23-24/25
• RID/ADR: UN 1993 3/PG 3

Product Information

• Purity: 96%
• Linear Formula: (CH3)3SiOP(OC2H5)2