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Phenyltriethoxysilane

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Name

Phenyltriethoxysilane

EINECS 212-305-8
CAS No. 780-69-8 Density 0.98 g/cm3
PSA 27.69000 LogP 1.94200
Solubility insoluble in water Melting Point <-50 °C
Formula C12H20O3Si Boiling Point 236.5 °C at 760 mmHg
Molecular Weight 240.374 Flash Point 102.5 °C
Transport Information UN 1993 3/PG 3 Appearance colorless transparent liquid
Safety 37/39-26-16-24/25 Risk Codes 10-21
Molecular Structure Molecular Structure of 780-69-8 (Phenyltriethoxysilane) Hazard Symbols HarmfulXn, IrritantXi
Synonyms

Silane,triethoxyphenyl- (6CI,7CI,8CI,9CI);Benzeneorthosiliconic acid, triethyl ester;Dynasil 9265;KBE 103;KBM 202LS4480;LS 4480;NSC 77115;P 0320;PTS 32;TSL 8178;Tri(ethoxo)(phenyl)silane;Triethoxyphenylsilane;

Article Data 84

Phenyltriethoxysilane Consensus Reports

Reported in EPA TSCA Inventory.

Phenyltriethoxysilane Specification

The IUPAC name of Phenyltriethoxysilane is triethoxy(phenyl)silane. With the CAS registry number 780-69-8, it is also named as Silane, triethoxyphenyl-. The product's categories are Si (Classes of Silicon Compounds); Si-O Compounds; Trialkoxysilanes; Phenyl Silanes, and the other registry number is 155684-09-6. Besides, it is colorless transparent liquid, which should be stored in dry inert gas in closed, cool and dry place. Moreover, this chemical is insoluble in water and moisture sensitive.

The other characteristics of this product can be summarized as: (1)EINECS: 212-305-8; (2)ACD/LogP: 2.99; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 2.99; (5)ACD/LogD (pH 7.4): 2.99; (6)ACD/BCF (pH 5.5): 110.26; (7)ACD/BCF (pH 7.4): 110.26; (8)ACD/KOC (pH 5.5): 1008.23; (9)ACD/KOC (pH 7.4): 1008.23; (10)H bond acceptors: 3; (11)H bond donors: 0; (12)Freely Rotating Bonds: 7; (13)Index of Refraction: 1.475; (14)Molar Refractivity: 68.51 cm3; (15)Molar Volume: 243.1 cm3; (16)Surface Tension: 29.1 dyne/cm; (17)Density: 0.98 g/cm3; (18)Flash Point: 102.5 °C; (19)Melting Point:<-50 °C; (20)Enthalpy of Vaporization: 45.41 kJ/mol; (21)Boiling Point: 236.5 °C at 760 mmHg; (22)Vapour Pressure: 0.0724 mmHg at 25 °C.

Preparation of Phenyltriethoxysilane: this chemical can be prepared by Ethanol and Trichloro-phenyl-silane.



This reaction needs cyclohexen and SnCl4 at ambient temperature. The reaction time is 1 hour. The yield is 58.8 %.

Uses of Phenyltriethoxysilane: this chemical is used as other silanes and siloxanes intermediates which can improve thermal stability of other silanes. Additionally, it is used as hydrophobic additive to other silane coupling agents which is used for hydrophobic surface treatment. And it is also used as a crosslinker in RTV silicone elastomers. In addition, it can react with 2,8,9-Trioxa-5-aza-1-bora-bicyclo[3.3.3]undecane to get 1-Phenyl-2,8,9-trioxa-5-aza-1-sila-bicyclo[3.3.3]undecane.



This reaction needs NaOEt and Dimethylformamide at temperature of 80 °C for 2 hours. The yield is 95 %.

When you are using this chemical, please be cautious about it as the following: Phenyltriethoxysilane is flammable, so please keep away from sources of ignition. It is also harmful in contact with skin. You should wear suitable gloves and eye/face protection. And please avoid contact with skin and eyes. Furthermore, in case of contact with eyes, please rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
(1)SMILES:O(CC)[Si](OCC)(OCC)c1ccccc1
(2)InChI:InChI=1/C12H20O3Si/c1-4-13-16(14-5-2,15-6-3)12-10-8-7-9-11-12/h7-11H,4-6H2,1-3H3
(3)InChIKey:JCVQKRGIASEUKR-UHFFFAOYAN
(4)Std. InChI:InChI=1S/C12H20O3Si/c1-4-13-16(14-5-2,15-6-3)12-10-8-7-9-11-12/h7-11H,4-6H2,1-3H3
(5)Std. InChIKey:JCVQKRGIASEUKR-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 3180uL/kg (3.18mL/kg)   Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974.
rat LD50 oral 2830uL/kg (2.83mL/kg)   Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974.

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