trimethyl[(phenylselanyl)methyl]silane

• ChemBase ID: 146997
• Molecular Formular: C10H16SeSi
• Molecular Mass: 243.27954
• Monoisotopic Mass: 244.01864804
• SMILES: C[Si](C)(C)C[Se]c1ccccc1
• Canonical SMILES: C[Si](C[Se]c1ccccc1)(C)C
• InChI: InChI=1S/C10H16SeSi/c1-12(2,3)9-11-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
• InChIKey: QXFASNHOOXGHDD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trimethyl[(phenylselanyl)methyl]silane
• IUPAC Traditional name: trimethyl[(phenylselanyl)methyl]silane
• Synonyms: (Phenylselenomethyl)trimethylsilane; (Trimethylsilyl)methyl phenyl selenide; Phenyl (trimethylsilyl)methyl selenide; Trimethyl(phenylselenomethyl)silane; (三甲基硅基)甲基苯基硒醚; (苯基硒代甲基)三甲基硅烷; 苯基(三甲基硅基)甲硒醚; 三甲基(苯基硒代甲基)硅烷

Database IDs

• CAS Number: 56253-60-2
• EC Number: 260-077-3
• MDL Number: MFCD00042834
• Beilstein Number: 1932376
• PubChem SID: 162241189; 24863430
• PubChem CID: 92078

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.0606
• LogD (pH = 7.4): 4.0606
• Log P: 4.0606
• Molar Refractivity: 59.5588 cm^3
• Polarizability: 20.26189 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 106 °C/6 mmHg(lit.)
• Flash Point: 203 °F; 95 °C
• Density: 1.176 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.552(lit.)

Safety Information

• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 2810
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 23/25-33-50/53
• Safety Statements: 20/21-28-45-60-61
• RID/ADR: UN 2810 6.1/PG 3

Product Information

• Purity: 99%
• Linear Formula: C6H5SeCH2Si(CH3)3

DETAILS

Sigma Aldrich - 376248

Packaging
1, 5 g in glass bottle