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CAS No.: | 15267-95-5 |
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Name: | Chloromethyltriethoxysilane |
Article Data: | 15 |
Molecular Structure: | |
Formula: | C7H17ClO3Si |
Molecular Weight: | 212.749 |
Synonyms: | (Chloromethyl)triethoxysilane;(Triethoxysilyl)methyl chloride;ND 41;Triethoxy(chloromethyl)silane; |
EINECS: | 239-311-3 |
Density: | 1.012 g/cm3 |
Boiling Point: | 200.91 °C at 760 mmHg |
Flash Point: | 64.045 °C |
Solubility: | 1.1-1000g/L at 20℃ |
Appearance: | Colorless transparent liquid |
Risk Codes: | 10 |
Safety: | 16 |
Transport Information: | UN 1993 3/PG 3 |
PSA: | 27.69000 |
LogP: | 2.23110 |
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Reported in EPA TSCA Inventory.
Chloromethyltriethoxysilane is an organic compound with the formula C7H17ClO3Si, and its systematic name is the same with the product name. With the CAS registry number 15267-95-5, it is also named as Cyclopentanoicacid. It belongs to the product categories of Chloroalkylsilanes, etc. (Silane Coupling Agents); Functional Materials; Si (Classes of Silicon Compounds); Silane Coupling Agents; Silicon Compounds (for Synthesis); Si-O Compounds; Synthetic Organic Chemistry; Trialkoxysilanes; Alkoxy Silanes; Alpha Silanes; Tri-Alkoxy & Greater Silanes; Self Assembly&Contact Printing; Self-Assembly Materials; Silane Coupling Agents/Adhesion Promoters. Its EINECS number is 239-311-3. In addition, the molecular weight is 212.75. Its classification code is Skin / Eye Irritant. It is flammable, so you should keep it away from sources of ignition - No smoking. This chemical is mainly used as an intermediate for coupling agent.
Physical properties of Chloromethyltriethoxysilane are: (1)ACD/LogP: 2.966; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.97; (4)ACD/LogD (pH 7.4): 2.97; (5)ACD/BCF (pH 5.5): 105.70; (6)ACD/BCF (pH 7.4): 105.70; (7)ACD/KOC (pH 5.5): 978.22; (8)ACD/KOC (pH 7.4): 978.22; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 27.69 Å2; (13)Index of Refraction: 1.421; (14)Molar Refractivity: 53.281 cm3; (15)Molar Volume: 210.291 cm3; (16)Polarizability: 21.122×10-24cm3; (17)Surface Tension: 24.37 dyne/cm; (18)Density: 1.012 g/cm3; (19)Flash Point: 64.045 °C; (20)Enthalpy of Vaporization: 41.926 kJ/mol; (21)Boiling Point: 200.91 °C at 760 mmHg; (22)Vapour Pressure: 0.45 mmHg at 25°C.
Preparation: this chemical can be prepared by ethanol and trichloro-chloromethyl-silane at the ambient temperature. This reaction will need reagents cyclohexen, SnCl4 with the reaction time of 1 hour. The yield is about 75.1%.
Uses of Chloromethyltriethoxysilane: it can be used to produce (4-fluorobenzoyloxymethyl)triethoxysilane by heating. It will need reagent dimethylformamide with the reaction time of 20 min. The yield is about 58%.
You can still convert the following datas into molecular structure:
(1)SMILES: ClC[Si](OCC)(OCC)OCC
(2)Std. InChI: InChI=1S/C7H17ClO3Si/c1-4-9-12(7-8,10-5-2)11-6-3/h4-7H2,1-3H3
(3)Std. InChIKey: ZDOBWJOCPDIBRZ-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rat | LD50 | oral | 2400mg/kg (2400mg/kg) | "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 1229, 1986. |