(chloromethyl)(methyl)bis(pentafluorophenyl)silane

• ChemBase ID: 149307
• Molecular Formular: C14H5ClF10Si
• Molecular Mass: 426.712032
• Monoisotopic Mass: 425.96893657
• SMILES: C[Si](CCl)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F
• Canonical SMILES: ClC[Si](c1c(F)c(F)c(c(c1F)F)F)(c1c(F)c(F)c(c(c1F)F)F)C
• InChI: InChI=1S/C14H5ClF10Si/c1-26(2-15,13-9(22)5(18)3(16)6(19)10(13)23)14-11(24)7(20)4(17)8(21)12(14)25/h2H2,1H3
• InChIKey: SGWKGYURKBQGIC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (chloromethyl)(methyl)bis(pentafluorophenyl)silane
• IUPAC Traditional name: (chloromethyl)(methyl)bis(pentafluorophenyl)silane
• Synonyms: (Chloromethyl)methylbis(pentafluorophenyl)silane; (甲基氯)甲基双(五氟苯基)硅烷

Database IDs

• CAS Number: 77669-65-9
• MDL Number: MFCD00191925
• PubChem SID: 162243475
• PubChem CID: 4193576

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.1704
• LogD (pH = 7.4): 7.1704
• Log P: 7.1704
• Molar Refractivity: 68.698 cm^3
• Polarizability: 26.809284 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Flash Point: >113 °C; >235.4 °F
• Density: 1.613 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.48(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves

Product Information

• Purity: 95%
• Linear Formula: CH3Si(C6F5)2CH2Cl

DETAILS

Sigma Aldrich - 388769

Packaging
1, 5 g in glass bottle