Tributylchlorosilane

The Tributylchlorosilane with the cas number 995-45-9, is al so called Chlorotributylsilane. The systematic name is Silane, tributylchloro- and IUPAC name is tributyl(chloro)silane. Its EINECS registry number is 213-627-1. The molecular formula is C₁₂H₂₇ClSi. This chemical is colorless liquid.

Properties Computed from Structure: (1)H-Bond Donor: 0; (2)H-Bond Acceptor: 0; (3)Rotatable Bond Count: 9; (4)Exact Mass: 234.157055; (5)MonoIsotopic Mass: 234.157055; (6)Topological Polar Surface Area: 0; (7)Heavy Atom Count: 14; (8)Formal Charge: 0; (9)Complexity: 104; (10)Isotope Atom Count: 0; (11)Defined Atom StereoCenter Count: 0; (12)Undefined Atom StereoCenter Count: 0; (13)Defined Bond StereoCenter Count: 0; (14)Undefined Bond StereoCenter Count: 0; (15)Covalently-Bonded Unit Count: 1.

Uses: This chemical can react with bromo-trifluoro-methane, to product tributyl-trifluoromethyl-silane. This reaction needs reagent hexaethylphosphorous triamide and solvent CH₂C_l2  at heating condition. The reaction time is 1.0 hours. The yield is 64%.

When you are using this chemical, please be cautious about it as the following: (1)Causes burns; (2)Irritating to respiratory system; (3)In case of contact with eyes, rinse immediately with plenty of water and seek medical advice; (4)Wear suitable protective clothing, gloves and eye/face protection; (5)In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible).

You can still convert the following datas into molecular structure:
(1)SMILES: Cl[Si](CCCC)(CCCC)CCCC
(2)InChI: InChI=1/C12H27ClSi/c1-4-7-10-14(13,11-8-5-2)12-9-6-3/h4-12H2,1-3H3 
(3)InChIKey: JSQJUDVTRRCSRU-UHFFFAOYSA-N