4-TRIMETHYLSILYLPHENOL

The CAS register number of Phenol,4-(trimethylsilyl)- is 13132-25-7. It also can be called as (4-Hydroxyphenyl)trimethylsilane and the IUPAC name about this chemical is 4-trimethylsilylphenol. The molecular formula about this chemical is C₉H₁₄OSi and the molecular weight is 166.29506.

Physical properties about Phenol,4-(trimethylsilyl)- are: (1)ACD/LogP: 3.84; (2)ACD/LogD (pH 5.5): 3.84; (3)ACD/LogD (pH 7.4): 3.84; (4)ACD/BCF (pH 5.5): 487.93; (5)ACD/BCF (pH 7.4): 484.22; (6)ACD/KOC (pH 5.5): 2923.6; (7)ACD/KOC (pH 7.4): 2901.34; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 9.23 Å²; (12)Index of Refraction: 1.503; (13)Molar Refractivity: 50.92 cm³; (14)Molar Volume: 172.1 cm³; (15)Polarizability: 20.18x10^-24cm³; (16)Surface Tension: 28.8 dyne/cm; (17)Density: 0.96 g/cm³; (18)Flash Point: 93.3 °C; (19)Enthalpy of Vaporization: 48.63 kJ/mol; (20)Boiling Point: 230.7 °C at 760 mmHg; (21)Vapour Pressure: 0.0429 mmHg at 25 °C.

Preparation: this chemical can be prepared by 1-(tert-butyl-dimethyl-silanyloxy)-4-trimethylsilanyl-benzene. This reaction will need reagent of Me₃SiCl, KI, H₂O and solvent of acetonitrile. The reaction time is 15 mins with reaction temperature of 20 °C. The yield is about 91%.

Uses of Phenol,4-(trimethylsilyl)-: it can be used to produce 4-bromo-phenol. This reaction will need reagent of NaBr, NCS and solvent of methanol. The reaction time is 5 mins with ambient temperature. The yield is about 90%.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc1ccc(cc1)[Si](C)(C)C
(2)InChI: InChI=1/C9H14OSi/c1-11(2,3)9-6-4-8(10)5-7-9/h4-7,10H,1-3H3
(3)InChIKey: ZOMMEPFDNFYOHO-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C9H14OSi/c1-11(2,3)9-6-4-8(10)5-7-9/h4-7,10H,1-3H3
(5)Std. InChIKey: ZOMMEPFDNFYOHO-UHFFFAOYSA-N