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1871-21-2

Basic Information
CAS No.: 1871-21-2
Name: TRIVINYLCHLOROSILANE
Article Data: 5
Molecular Structure:
Molecular Structure of 1871-21-2 (TRIVINYLCHLOROSILANE)
Formula: C6H9ClSi
Molecular Weight: 144.676
Synonyms: Trivinylchlorosilane;Trivinylsilyl chloride;Chlorotrivinylsilane;Silane,chlorotrivinyl- (6CI,7CI,8CI);
Density: 0.904 g/cm3
Melting Point: <0°C
Boiling Point: 132.3 °C at 760 mmHg
Flash Point: 24.5 °C
Risk Codes: 11-34
Safety: 3/7-9-16-36/37/39-45
Transport Information: 2985
PSA: 0.00000
LogP: 2.34630
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Specification

This chemical is called Silane, chlorotriethenyl-, and its systematic name is chloro(triethenyl)silane. With the molecular formula of C6H9ClSi, its molecular weight is 144.67. The CAS registry number of this chemical is 1871-21-2. Additionally, its product category is Silane Reagents.

Other characteristics of the Silane, chlorotriethenyl- can be summarised as followings: (1)ACD/LogP: 3.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.97; (4)ACD/LogD (pH 7.4): 3.97; (5)ACD/BCF (pH 5.5): 614.92; (6)ACD/BCF (pH 7.4): 614.92; (7)ACD/KOC (pH 5.5): 3450.16; (8)ACD/KOC (pH 7.4): 3450.16; (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: 42.58 cm3; (15)Molar Volume: 159.9 cm3; (16)Polarizability: 16.88×10-24cm3; (17)Surface Tension: 19.3 dyne/cm; (18)Density: 0.904 g/cm3; (19)Flash Point: 24.5 °C; (20)Enthalpy of Vaporization: 35.46 kJ/mol; (21)Boiling Point: 132.3 °C at 760 mmHg; (22)Vapour Pressure: 11 mmHg at 25°C.

Production method of this chemical: The Silane, chlorotriethenyl- could be obtained by the reactants of trivinyl-silane and trichloro-chloromethyl-silane. The yield is 41.5 %. In addition, this reaction should be taken for 30 seconds at the temperature of 500 °C.

Uses of this chemical: The Silane, chlorotriethenyl- could react with 2-bromo-thiophene, and obtain the (5-bromo-thiophen-2-yl)-trivinyl-silane. This reaction needs the reagent of n-BuLi, (i-Pr)2NH, and the solvent of tetrahydrofuran. The yield is 58 %.

When you are using this chemical, please be cautious about it as the following: This chemical causes burns. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice. For it's flammable, keep it away from the sources of ignition.

You can still convert the following datas into molecular structure: 
1.SMILES: Cl[Si](\C=C)(\C=C)\C=C
2.InChI: InChI=1/C6H9ClSi/c1-4-8(7,5-2)6-3/h4-6H,1-3H2
3.InChIKey: NNKJLYMBVRDUEI-UHFFFAOYAN