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15267-95-5

Basic Information
CAS No.: 15267-95-5
Name: Chloromethyltriethoxysilane
Article Data: 15
Molecular Structure:
Molecular Structure of 15267-95-5 (Chloromethyltriethoxysilane)
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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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

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%.

Chloromethyltriethoxysilane can be prepared by ethanol and trichloro-chloromethyl-silane at the ambient temperature

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%.

Chloromethyltriethoxysilane can be used to produce (4-fluorobenzoyloxymethyl)triethoxysilane by heating

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.