2,4,6-trimethyl-2,4,6-tris(3,3,3-trifluoropropyl)-1,3,5,2,4,6-trioxatrisilinane

• ChemBase ID: 9732
• Molecular Formular: C12H21F9O3Si3
• Molecular Mass: 468.5354688
• Monoisotopic Mass: 468.06547811
• SMILES: O1[Si](O[Si](O[Si]1(C)CCC(F)(F)F)(C)CCC(F)(F)F)(CCC(F)(F)F)C
• Canonical SMILES: FC(CC[Si]1(C)O[Si](C)(CCC(F)(F)F)O[Si](O1)(C)CCC(F)(F)F)(F)F
• InChI: InChI=1S/C12H21F9O3Si3/c1-25(7-4-10(13,14)15)22-26(2,8-5-11(16,17)18)24-27(3,23-25)9-6-12(19,20)21/h4-9H2,1-3H3
• InChIKey: URZHQOCYXDNFGN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4,6-trimethyl-2,4,6-tris(3,3,3-trifluoropropyl)-1,3,5,2,4,6-trioxatrisilinane
• IUPAC Traditional name: 2,4,6-trimethyl-2,4,6-tris(3,3,3-trifluoropropyl)-1,3,5,2,4,6-trioxatrisilinane
• Synonyms: 1,3,5-Tris[(3,3,3-trifluoropropyl)methyl]-cyclotrisiloxane; 1,3,5-Tris[(3,3,3-trifluoropropyl)methyl]cyclotrisiloxane; 1,3,5-Tris[(3,3,3-trifluoropropyl)methyl]cyclotrisiloxane; 1,3,5-Trimethyl-1,3,5-tris(3,3,3-trifluoropropyl)cyclotrisiloxane; 1,3,5-三甲基-1,3,5-三(3,3,3-三氟丙基)环三硅噁烷

Database IDs

• CAS Number: 2374-14-3
• EC Number: 219-154-7
• MDL Number: MFCD00054667
• Beilstein Number: 1809096
• PubChem SID: 160973039
• PubChem CID: 75410

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.4199
• LogD (pH = 7.4): 4.4199
• Log P: 4.4199
• Molar Refractivity: 69.1815 cm^3
• Polarizability: 32.054108 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 34-36°C; 34-36°C
• Boiling Point: 135°C/22mm; 135°C/22mm
• Density: 1.24; 1.240

Safety Information

• Storage Warning: Flammable; TOXIC
• RTECS: GZ4818000
• European Hazard Symbols: Toxic (T)
• UN Number: UN2811
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 25-36/38
• Safety Statements: 26-36/37-45
• TSCA Listed: false; 是
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H315-H319
• GHS Precautionary statements: P280-P301+P310-P305+P351+P338-P302+P352-P405-P501A

Product Information

• Purity: 97%