4-chloro-2,2,6,6-tetramethyl-4-[(trimethylsilyl)oxy]-3,5-dioxa-2,4,6-trisilaheptane

• ChemBase ID: 287539
• Molecular Formular: C9H27ClO3Si4
• Molecular Mass: 331.10388
• Monoisotopic Mass: 330.07257853
• SMILES: C[Si](O[Si](O[Si](C)(C)C)(Cl)O[Si](C)(C)C)(C)C
• Canonical SMILES: Cl[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C
• InChI: InChI=1S/C9H27ClO3Si4/c1-14(2,3)11-17(10,12-15(4,5)6)13-16(7,8)9/h1-9H3
• InChIKey: BBCITGBFGUITMR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-2,2,6,6-tetramethyl-4-[(trimethylsilyl)oxy]-3,5-dioxa-2,4,6-trisilaheptane
• IUPAC Traditional name: 4-chloro-2,2,6,6-tetramethyl-4-[(trimethylsilyl)oxy]-3,5-dioxa-2,4,6-trisilaheptane
• Synonyms: Chlorotris(trimethylsiloxy)silane; Tris(trimethylsiloxy)silyl chloride; Tris(trimethylsiloxy)chlorosilane; 3-Chloro-1,1,1,5,5,5-hexamethyl-3-((trimethylsilyl)oxy)trisiloxane; 三(三甲硅烷氧基)氯硅烷

Database IDs

• CAS Number: 17905-99-6
• EC Number: 000-000-0
• MDL Number: MFCD00054864
• PubChem SID: 180673070
• PubChem CID: 2760882

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.127
• LogD (pH = 7.4): 5.127
• Log P: 5.127
• Molar Refractivity: 62.2078 cm^3
• Polarizability: 33.046116 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 78°C/5mm
• Flash Point: 74°C(165°F)

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: UN2987
• Hazard Class: 8
• Packing Group: II
• Risk Statements: 34
• Safety Statements: 23-26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318-H227
• GHS Precautionary statements: P210-P260-P303+P361+P353-P305+P351+P338-P405-P501A

Product Information

• Purity: 95+%; 97%