[3,5-bis(trifluoromethyl)phenyl]dimethylsilane

• ChemBase ID: 97146
• Molecular Formular: C10H10F6Si
• Molecular Mass: 272.2623192
• Monoisotopic Mass: 272.04559617
• SMILES: FC(c1cc(cc(c1)[SiH](C)C)C(F)(F)F)(F)F
• Canonical SMILES: C[SiH](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C
• InChI: InChI=1S/C10H10F6Si/c1-17(2)8-4-6(9(11,12)13)3-7(5-8)10(14,15)16/h3-5,17H,1-2H3
• InChIKey: LREFQVUTVCXKES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3,5-bis(trifluoromethyl)phenyl]dimethylsilane
• IUPAC Traditional name: [3,5-bis(trifluoromethyl)phenyl]dimethylsilane
• Synonyms: Dimethyl [3,5-bis(trifluoromethyl)phenyl]silane; 3,5-Bis(trifluoromethyl)phenyldimethylsilane; [3,5-Bis(trifluoromethyl)phenyl]dimethylsilane 95%; 3,5-二(三氟甲基)苯基二甲基硅烷

Database IDs

• CAS Number: 33558-36-0
• MDL Number: MFCD02093948
• Beilstein Number: 2859742
• PubChem SID: 162083759
• PubChem CID: 11219490

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.5728
• LogD (pH = 7.4): 3.5728
• Log P: 3.5728
• Molar Refractivity: 49.3199 cm^3
• Polarizability: 19.550287 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 40°C/1.5mm; 40°C/1.5mm
• Density: 1.230
• Refractive Index: 1.4125

Safety Information

• Storage Warning: Irritant
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 3-23-26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 95%