trichloro({3-[(heptafluoropropan-2-yl)oxy]propyl})silane

• ChemBase ID: 97421
• Molecular Formular: C6H6Cl3F7OSi
• Molecular Mass: 361.5445624
• Monoisotopic Mass: 359.91417192
• SMILES: O(CCC[Si](Cl)(Cl)Cl)C(C(F)(F)F)(F)C(F)(F)F
• Canonical SMILES: FC(C(F)(F)F)(C(F)(F)F)OCCC[Si](Cl)(Cl)Cl
• InChI: InChI=1S/C6H6Cl3F7OSi/c7-18(8,9)3-1-2-17-4(10,5(11,12)13)6(14,15)16/h1-3H2
• InChIKey: GATGUNJRFUIHOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trichloro({3-[(heptafluoropropan-2-yl)oxy]propyl})silane
• IUPAC Traditional name: trichloro({3-[(heptafluoropropan-2-yl)oxy]propyl})silane
• Synonyms: 3-(HEPTAFLUOROISOPROPOXY)PROPYL TRICHLOROSILANE; {3-[(1,1,1,2,3,3,3-Heptafluoroprop-2-yl)oxy]prop-1-yl}trichlorosilane; Perfluoroisopropyl 3-(trichlorosilyl)propyl ether; [3-(Perfluoroisopropoxy)prop-1-yl]trichlorosilane

Database IDs

• CAS Number: 15538-93-9
• MDL Number: MFCD00045135
• PubChem SID: 162084028
• PubChem CID: 284131

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.6422
• LogD (pH = 7.4): 4.6422
• Log P: 4.6422
• Molar Refractivity: 50.4237 cm^3
• Polarizability: 20.889278 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 41°C; 85-87°C/35mm
• Flash Point: 81°C
• Density: 1.4 g/ml; 1.497
• Refractive Index: 1.372

Safety Information

• Storage Warning: Corrosive/Moisture Sensitive/Store under Argon

DETAILS

MP Biomedicals - 05224866

MP Biomedicals Rare Chemical collection