CAS 512-63-0 Hexaphenylcyclotrisiloxane - Materials / Alfa Chemistry

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Hexaphenylcyclotrisiloxane

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Catalog Number

ACM512630

CAS Number

512-63-0

Product Name

Hexaphenylcyclotrisiloxane

Structure

Category

Salt

IUPAC Name

2,2,4,4,6,6-hexakis-phenyl-1,3,5,2,4,6-trioxatrisilinane

Molecular Weight

594.89 g/mol

Molecular Formula

C36H30O3Si3

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

Purity

>96%

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

EC Number

208-145-3

Exact Mass

594.150274g/mol

Formal Charge

Hazard Statements

H315 : Causes skin irritation.
H319 : Causes serious eye irritation.

Heavy Atom Count

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.

Properties

Solid

Rotatable Bond Count

Signal Word

Warning

MSDS

Download MSDS

COA

Download COA

Spec Sheet

Download Spec Sheet

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