Hexaphenylcyclotrisiloxane

• CAS: 512-63-0
• Catalog Number: ACM512630
• Category: Other Products
• Molecular Weight: 594.89 g/mol
• Molecular Formula: C36H30O3Si3
• IUPAC Name: 2,2,4,4,6,6-hexakis-phenyl-1,3,5,2,4,6-trioxatrisilinane
• Canonical SMILES: C1=CC=C(C=C1)[Si]2(O[Si](O[Si](O2)(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7
• InChI: InChI=1S/C36H30O3Si3/c1-7-19-31(20-8-1)40(32-21-9-2-10-22-32)37-41(33-23-11-3-12-24-33,34-25-13-4-14-26-34)39-42(38-40,35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1-30H
• InChI Key: VCYDUTCMKSROID-UHFFFAOYSA-N
• Boiling Point: 300 °C(2 mmHg)
• Melting Point: 190 °C
• Flash Point: 251.5 °C
• Density: 1.2 g/mL
• Solubility: Insoluble in water.Soluble in Toluene.
• Appearance: White to almost white powder to crystal
• Application: Hexaphenylcyclotrisiloxane serves as a phenylsilsesquioxane with notable thermal stability primarily employed as a cross-coupling reagent in palladium-catalyzed reactions with aryl halides Its unique chemical structure and properties make it valuable in facilitating efficient and reliable cross-coupling processes enhancing the synthesis of complex organic compounds
• Complexity: 651
• Covalently-Bonded Unit Count: 1
• EC Number: 208-145-3
• Exact Mass: 594.150274g/mol
• Formal Charge: 0
• Hazard Statements: H315 : Causes skin irritation.; H319 : Causes serious eye irritation.
• H-Bond Acceptor: 3
• H-Bond Donor: 0
• Heavy Atom Count: 42
• MDL Number: MFCD00023110
• Monoisotopic Mass: 594.150274g/mol
• NSC Number: 127080
• Packaging: 10 g; 100 g
• Precautionary Statements: P264 : Wash skin thoroughly after handling.; P280 : Wear protective gloves/ eye protection/ face protection.; P302 + P352 : IF ON SKIN: Wash with plenty of water.; P337 + P313 : If eye irritation persists: Get medical advice/ attention.; P362 + P364 : Take off contaminated clothing and wash it before reuse.; P332 + P313 : If skin irritation °Ccurs: Get medical advice/ attention.
• PubChem ID: 87560246
• Rotatable Bond Count: 6
• Signal Word: Warning