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| CAS No.: | 995-45-9 |
|---|---|
| Name: | Tributylchlorosilane |
| Molecular Structure: | |
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|
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| Formula: | C12H27ClSi |
| Molecular Weight: | 234.885 |
| Synonyms: | Chlorotributylsilane;NSC 139852;Tri-n-butylchlorosilane;Tributylsilylchloride; |
| EINECS: | 213-627-1 |
| Density: | 0.858 g/cm3 |
| Boiling Point: | 253.6 °C at 760 mmHg |
| Flash Point: | 97 °C |
| Solubility: | Reacts with water. |
| Appearance: | COLORLESS LIQUID |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34-37 |
| Safety: | 26-36/37/39-45 |
| Transport Information: | UN 2987 8/PG 2 |
| PSA: | 0.00000 |
| LogP: | 5.57100 |
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Specification
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 CH2Cl2 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