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| CAS No.: | 7787-93-1 |
|---|---|
| Name: | 3-Chloropropylmethyldichlorosilane |
| Article Data: | 34 |
| Molecular Structure: | |
|
|
|
| Formula: | C4H9Cl3Si |
| Molecular Weight: | 191.56 |
| Synonyms: | 3-Chloropropyldichloromethylsilane;3-Chloropropylmethyldichlorosilane;Dichloro(3-chloropropyl)methylsilane;g-Chloropropylmethyldichlorosilane;dichloro(3-chloropropyl)methylsilane;(3-Chloropropyl)methyldichlorosilane; |
| EINECS: | 232-136-3 |
| Density: | 1.164 g/cm3 |
| Boiling Point: | 160.9 °C at 760 mmHg |
| Flash Point: | 59.4 °C |
| Solubility: | 60g/L at 20℃ |
| Appearance: | Colorless clear liquid |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34 |
| Safety: | 26-27-36/37/39-45 |
| PSA: | 0.00000 |
| LogP: | 3.16490 |
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Specification
The 3-Chloropropylmethyldichlorosilane, with the CAS registry number 7787-93-1 and EINECS registry number 232-136-3, has the systematic name of dichloro(3-chloropropyl)methylsilane. It is a kind of Colorless clear liquid, and belongs to the following product categories: Industrial/Fine Chemicals; Dichlorosilanes; Si (Classes of Silicon Compounds); Si-Cl Compounds; Chloro Silanes. And the molecular formula of the chemical is C4H9Cl3Si.
The characteristics of 3-Chloropropylmethyldichlorosilane are as followings: (1)ACD/LogP: 4.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.17; (4)ACD/LogD (pH 7.4): 4.17; (5)ACD/BCF (pH 5.5): 869.31; (6)ACD/BCF (pH 7.4): 869.31; (7)ACD/KOC (pH 5.5): 4420.39; (8)ACD/KOC (pH 7.4): 4420.39; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.445; (14)Molar Refractivity: 43.84 cm3; (15)Molar Volume: 164.4 cm3; (16)Polarizability: 17.38×10-24cm3; (17)Surface Tension: 24.4 dyne/cm; (18)Density: 1.164 g/cm3; (19)Flash Point: 59.4 °C; (20)Enthalpy of Vaporization: 38.11 kJ/mol; (21)Boiling Point: 160.9 °C at 760 mmHg; (22)Vapour Pressure: 3.04 mmHg at 25°C.
Preparation of 3-Chloropropylmethyldichlorosilane : This chemical can be prepared by 3-chloro-propene and dichloro-methyl-silane. The reaction will need reagent H2PtCl6, and the menstruum toluene. The reaction time is 48 hours with temperature of 85 - 128 °C, and the yield is about 55%.
Uses of 3-Chloropropylmethyldichlorosilane: It can react with tetrahydrofuran to produce chloro(4-chlorobutoxy)(3-chloropropyl)methylsilane. This reaction will need reagent H2PtCl6. The reaction time is 5 hours with heating, and the yield is about 78%.
You should be cautious while dealing with this chemical. It may cause burns. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice. What's more, you should take off immediately all contaminated clothing after dealing with it, and if in case of accident or if you feel unwell, seek medical advice immediately (show label where possible).
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: ClCCC[Si](Cl)(Cl)C
(2)InChI: InChI=1/C4H9Cl3Si/c1-8(6,7)4-2-3-5/h2-4H2,1H3
(3)InChIKey: UCJHMXXKIKBHQP-UHFFFAOYAU