TRI-N-HEXYLCHLOROSILANE

The Silane, chlorotrihexyl-, with the CAS registry number 3634-67-1 and EINECS registry number 222-851-9, has the systmatic name and IUPAC name of chloro(trihexyl)silane. It belongs to the following product categories: Protecting and Derivatizing Reagents; Protection and Derivatization; Silicon-Based. And the molecular formula of the chemical is C₁₈H₃₉ClSi.

The characteristics of Silane, chlorotrihexyl- are as followings: (1)ACD/LogP: 10.15; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 10.15; (4)ACD/LogD (pH 7.4): 10.15; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 7871657.5; (8)ACD/KOC (pH 7.4): 7871657.5; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 15; (12)Polar Surface Area: 0 Ų; (13)Index of Refraction: 1.443; (14)Molar Refractivity: 99 cm³; (15)Molar Volume: 372.7 cm³; (16)Polarizability: 39.24×10^-24cm³; (17)Surface Tension: 26.5 dyne/cm; (18)Density: 0.855 g/cm³; (19)Flash Point: 188.6 °C; (20)Enthalpy of Vaporization: 53.86 kJ/mol; (21)Boiling Point: 319.3 °C at 760 mmHg; (22)Vapour Pressure: 0.000637 mmHg at 25°C. 

Uses of Silane, chlorotrihexyl-: It can react with 3-chloro-cyclopentene to produce cyclopent-2-enyl-trihexyl-silane. This reaction will need reagent Mg, and the menstruum tetrahydrofuran. And the yield is about 62%.

You should be cautious while dealing with this chemical. It may cause burns. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection; Take off immediately all contaminated clothing; After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer); In case of contact with eyes, rinse immediately with plenty of water and seek medical advice; In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cl[Si](CCCCCC)(CCCCCC)CCCCCC
(2)InChI: InChI=1/C18H39ClSi/c1-4-7-10-13-16-20(19,17-14-11-8-5-2)18-15-12-9-6-3/h4-18H2,1-3H3
(3)InChIKey: WZQSBCHNVPAYOC-UHFFFAOYAH