DIMETHYLTHEXYLSILYL CHLORIDE

The Silane,chlorodimethyl(1,1,2-trimethylpropyl)-, with the CAS registry number 67373-56-2, is also known as Dimethylthexylsilyl chloride. This chemical's molecular formula is C₈H₁₉ClSi and formula weight is 178.775. What's more, its IUPAC name is chloro-(2,3-dimethylbutan-2-yl)-dimethylsilane. The product should be sealed and stored in containers with dry inert gas which are placed in cool and dry places. It should be protected from moisture and strong oxidizers.

Physical properties of Silane,chlorodimethyl(1,1,2-trimethylpropyl)- are: (1)ACD/LogP: 4.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.28; (4)ACD/BCF (pH 5.5): 1057.75; (5)ACD/KOC (pH 5.5): 5086.9; (6)#Freely Rotating Bonds: 2; (7)Index of Refraction: 1.419; (8)Molar Refractivity: 52.6 cm³; (9)Molar Volume: 208.1 cm³; (10)Surface Tension: 20 dyne/cm; (11)Density: 0.858 g/cm³; (12)Flash Point: 51.7 °C; (13)Enthalpy of Vaporization: 39.1 kJ/mol; (14)Boiling Point: 171.3 °C at 760 mmHg; (15)Vapour Pressure: 1.87 mmHg at 25°C.

Preparation: this chemical can be prepared by dimethyl-(1,1,2-trimethyl-propyl)-silanol. This reaction will need reagent SOCl₂ and solvent CHCl₃ with the reaction time of 30 min. The yield is about 82%.

Uses of Silane,chlorodimethyl(1,1,2-trimethylpropyl)-: it can be used to produce (dimethylthexylsilyloxy)methyl ethyl sulfide at the ambient temperature. It will need reagent 4-(dimethylamino)pyridine, Et₃N and solvent CH₂Cl₂ with the reaction time of 6.5 hours. The yield is about 78%.

When you are using this chemical, please be cautious about it as the following:
It is flammable and is irritating to respiratory system. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. It can cause burns. When using it, you need 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: CC(C)C(C)(C)[Si](C)(C)Cl
(2)InChI: InChI=1S/C8H19ClSi/c1-7(2)8(3,4)10(5,6)9/h7H,1-6H3
(3)InChIKey: KIGALSBMRYYLFJ-UHFFFAOYSA-N