HEXYLTRICHLOROSILANE

Reported in EPA TSCA Inventory.

DOT Classification:  8; Label: Corrosive

The Hexyltrichlorosilane, with the CAS registry number 928-65-4, is also known as Silane, hexyltrichloro-. It belongs to the product categories of Functional Materials; Si (Classes of Silicon Compounds); Si-Cl Compounds; Silane Coupling Agents; Silane Coupling Agents (Intermediates); Trichlorosilanes. Its EINECS registry number is 213-178-1. This chemical's molecular formula is C₆H₁₃Cl₃Si and molecular weight is 219.61. Its IUPAC name is called trichloro(hexyl)silane. You should keep the container closed which should be stored in a cool, dry place. This chemical is a colorless liquid with a pungent odor.

Physical properties of Hexyltrichlorosilane: (1)ACD/LogP: 6.85; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.85; (4)ACD/LogD (pH 7.4): 6.85; (5)ACD/BCF (pH 5.5): 94207.67; (6)ACD/BCF (pH 7.4): 94207.67; (7)ACD/KOC (pH 5.5): 126482.45; (8)ACD/KOC (pH 7.4): 126482.45; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.45; (13)Molar Refractivity: 53.11 cm³; (14)Molar Volume: 197.4 cm³; (15)Surface Tension: 25.8 dyne/cm; (16)Density: 1.112 g/cm³; (17)Flash Point: 80.3 °C; (18)Enthalpy of Vaporization: 40.84 kJ/mol; (19)Boiling Point: 189.6 °C at 760 mmHg; (20)Vapour Pressure: 0.781 mmHg at 25°C.

Preparation of Hexyltrichlorosilane: this chemical can be prepared by hex-1-ene. This reaction will need reagent SiHCl₃.

When you are using this chemical, please be cautious about it as the following:
This chemical that at low levels may cause damage to health. It reacts violently with water. It is toxic by inhalation, in contact with skin and if swallowed. What's more, it can cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCC[Si](Cl)(Cl)Cl
(2)InChI: InChI=1S/C6H13Cl3Si/c1-2-3-4-5-6-10(7,8)9/h2-6H2,1H3
(3)InChIKey: LFXJGGDONSCPOF-UHFFFAOYSA-N