P-CHLOROPHENYLTRIMETHYLSILANE

The Benzene,1-chloro-4-(trimethylsilyl)-, with the CAS registry number 10557-71-8, is also known as (p-Chlorophenyl)trmethylsilane. This chemical's molecular formula is C₉H₁₃ClSi and molecular weight is 184.74. What's more, its IUPAC name is (4-Chlorophenyl)-trimethylsilane. It should be sealed and stored in dark, ventilated, cool and dry places and be protected from sheat, light, open flame and strong oxidizers.

Physical properties of Benzene,1-chloro-4-(trimethylsilyl)- are: (1)ACD/LogP: 5.32; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.32; (4)ACD/LogD (pH 7.4): 5.32; (5)ACD/BCF (pH 5.5): 6448.39; (6)ACD/BCF (pH 7.4): 6448.39; (7)ACD/KOC (pH 5.5): 18552.26; (8)ACD/KOC (pH 7.4): 18552.26; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.494; (14)Molar Refractivity: 54.21 cm³; (15)Molar Volume: 186.1 cm³; (16)Polarizability: 21.49×10^-24 cm³; (17)Surface Tension: 26.1 dyne/cm; (18)Density: 0.99 g/cm³; (19)Flash Point: 79.3 °C; (20)Enthalpy of Vaporization: 42.7 kJ/mol; (21)Boiling Point: 208.9 °C at 760 mmHg; (22)Vapour Pressure: 0.301 mmHg at 25 °C.

Preparation: this chemical can be prepared by 1,4-Dichloro-benzene and trimethyl-silyl anion at the ambient temperature. This reaction will need solvent Hexamethylphosphoric acid triamide with the reaction time of 10 min. The yield is about 32%.

Uses of Benzene,1-chloro-4-(trimethylsilyl)-: it can be used to produce 1-Chloro-4-iodo-benzene at the temperature of 0 °C. It will need reagent ICl, AgBF₄ and solvent Methanol with the reaction time of 40 min. The yield is about 94%.

When you are using this chemical, please be cautious about it as the following:
It is highly flammable, so you should keep it away from sources of ignition - No smoking. It is irritating to eyes and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C[Si](C)(C)C1=CC=C(C=C1)Cl
(2)InChI: InChI=1S/C9H13ClSi/c1-11(2,3)9-6-4-8(10)5-7-9/h4-7H,1-3H3
(3)InChIKey: LCQUSGXMZKOTPG-UHFFFAOYSA-N