(4-chlorophenyl)trimethylsilane

• ChemBase ID: 145176
• Molecular Formular: C9H13ClSi
• Molecular Mass: 184.73802
• Monoisotopic Mass: 184.04750463
• SMILES: C[Si](C)(C)c1ccc(cc1)Cl
• Canonical SMILES: Clc1ccc(cc1)[Si](C)(C)C
• InChI: InChI=1S/C9H13ClSi/c1-11(2,3)9-6-4-8(10)5-7-9/h4-7H,1-3H3
• InChIKey: LCQUSGXMZKOTPG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-chlorophenyl)trimethylsilane
• IUPAC Traditional name: (4-chlorophenyl)trimethylsilane
• Synonyms: 1-Chloro-4-(trimethylsilyl)benzene; 1-氯-4-(三甲基甲硅烷基)苯

Database IDs

• CAS Number: 10557-71-8
• MDL Number: MFCD00053218
• PubChem SID: 24870513; 162239386
• PubChem CID: 66351

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.1492
• LogD (pH = 7.4): 4.1492
• Log P: 4.1492
• Molar Refractivity: 46.9264 cm^3
• Polarizability: 20.646244 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 98-100 °C/20 mmHg(lit.)
• Flash Point: 171 °F; 77 °C
• Density: 0.995 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.509(lit.)

Safety Information

• German water hazard class: 3

Product Information

• Purity: 98%
• Linear Formula: ClC6H4Si(CH3)3

DETAILS

Sigma Aldrich - 468398

Packaging
10 g in glass bottle