(4-fluorophenyl)trimethylsilane

• ChemBase ID: 136786
• Molecular Formular: C9H13FSi
• Molecular Mass: 168.2834232
• Monoisotopic Mass: 168.07705517
• SMILES: C[Si](C)(C)c1ccc(cc1)F
• Canonical SMILES: Fc1ccc(cc1)[Si](C)(C)C
• InChI: InChI=1S/C9H13FSi/c1-11(2,3)9-6-4-8(10)5-7-9/h4-7H,1-3H3
• InChIKey: VZKFVPRKXHZBQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-fluorophenyl)trimethylsilane
• IUPAC Traditional name: (4-fluorophenyl)trimethylsilane
• Synonyms: 1-Fluoro-4-(trimethylsilyl)benzene; 1-氟-4-(三甲基硅基)苯

Database IDs

• CAS Number: 455-17-4
• MDL Number: MFCD00799543
• PubChem SID: 24870512; 162231055
• PubChem CID: 136298

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.7707
• LogD (pH = 7.4): 3.7707
• Log P: 3.7707
• Molar Refractivity: 42.338 cm^3
• Polarizability: 18.433447 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 92-93 °C/60 mmHg(lit.)
• Flash Point: 114.8 °F; 46 °C
• Density: 0.945 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.474(lit.)

Safety Information

• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10
• Safety Statements: 16
• GHS Pictograms: GHS02
• GHS Signal Word: Warning
• GHS Hazard statements: H226
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 3

Product Information

• Purity: 98%
• Linear Formula: FC6H4Si(CH3)3