4484-72-4

Reported in EPA TSCA Inventory.

DOT Classification:  8; Label: Corrosive

The Dodecyltrichlorosilane, with the CAS registry number 4484-72-4, is also known as Silane,trichlorododecyl-. 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; Chloro Silanes. Its EINECS number is 224-769-9. This chemical's molecular formula is C₁₂H₂₅Cl₃Si and molecular weight is 303.77. What's more, its systematic name is Trichloro(dodecyl)silane. This chemical is stable at common pressure and temperature, and it should be sealed and stored in a ventilated and dry place. Moreover, it should be protected from light. It is used as intermediates of silicon compounds.

Physical properties of Dodecyltrichlorosilane are: (1)ACD/LogP: 7.701 # of Rule of 5 Violations: 1; (2)ACD/LogD (pH 5.5): 7.70; (3)ACD/LogD (pH 7.4): 7.70; (4)ACD/BCF (pH 5.5): 419351.00; (5)ACD/BCF (pH 7.4): 419351.00; (6)ACD/KOC (pH 5.5): 368310.10; (7)ACD/KOC (pH 7.4): 368310.10; (8)#H bond acceptors: 0; (9)#H bond donors: 0; (10)#Freely Rotating Bonds: 11; (11)Index of Refraction: 1.458; (12)Molar Refractivity: 80.908 cm³; (13)Molar Volume: 296.507 cm³; (14)Polarizability: 32.074×10^-24cm³; (15)Surface Tension: 28.33 dyne/cm; (16)Density: 1.024 g/cm³; (17)Flash Point: 141.117 °C; (18)Enthalpy of Vaporization: 50.724 kJ/mol; (19)Boiling Point: 289.139 °C at 760 mmHg; (20)Vapour Pressure: 0.004 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-chloro-dodecane at the temperature of 170 °C. This reaction will need reagents HSiCl₃, Bu₄PCl with the reaction time of 4 hours. The yield is about 92%.

Uses of Dodecyltrichlorosilane: it can be used to produce Trihydroxydodecylsilan at the temperature of -10 - 10 °C. It will need reagents H₂O, NaHCO₃ and solvent diethyl ether with the reaction time of 1 hour. The yield is about 83 %.

When you are using this chemical, please be cautious about it as the following:
This chemical can cause burns, and it will react violently with water. If contact with water, it will liberate toxic gas, so you should keep the container dry. It is irritating to respiratory system. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need to wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, you must seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: Cl[Si](Cl)(Cl)CCCCCCCCCCCC
(2)Std. InChI: InChI=1S/C12H25Cl3Si/c1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15/h2-12H2,1H3
(3)Std. InChIKey: BNCXNUWGWUZTCN-UHFFFAOYSA-N