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18666-68-7

Basic Information
CAS No.: 18666-68-7
Name: Benzene,1,1',1''-(ethenylsilylidyne)tris-
Molecular Structure:
Molecular Structure of 18666-68-7 (Benzene,1,1',1''-(ethenylsilylidyne)tris-)
Formula: C20H18Si
Molecular Weight: 286.44
Synonyms: Silane,ethenyltriphenyl- (9CI);Silane, triphenylvinyl- (6CI,7CI,8CI);Ethenyltriphenylsilane;NSC 139006;Triphenylsilylethylene;Triphenylvinylsilane;Vinyltriphenylsilane;
EINECS: 242-487-4
Density: 1.04 g/cm3
Melting Point: 68-70 °C(lit.)
Boiling Point: 365.9 °C at 760 mmHg
Flash Point: 161.3 °C
Solubility: Insoluble in water.
Appearance: off-white to slightly beige crystalline powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
Transport Information:
PSA: 0.00000
LogP: 2.88200
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Specification

The Benzene,1,1',1''-(ethenylsilylidyne)tris-, with the CAS registry number 18666-68-7, is also known as NSC139006. It belongs to the product categories of Si (Classes of Silicon Compounds); Si-(C)4 Compounds; Vinylsilanes, Allylsilanes. Its EINECS registry number is 242-487-4. This chemical's molecular formula is C20H18Si and molecular weight is 286.44242. Its IUPAC name is called ethenyl(triphenyl)silane.

Physical properties of Benzene,1,1',1''-(ethenylsilylidyne)tris-: (1)ACD/LogP: 7.02; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.02; (4)ACD/LogD (pH 7.4): 7.02; (5)ACD/BCF (pH 5.5): 128081.45; (6)ACD/BCF (pH 7.4): 128081.45; (7)ACD/KOC (pH 5.5): 157585.56; (8)ACD/KOC (pH 7.4): 157585.56; (9)#Freely Rotating Bonds: 4; (10)Index of Refraction: 1.602; (11)Molar Refractivity: 93.95 cm3; (12)Molar Volume: 273.8 cm3; (13)Surface Tension: 38.1 dyne/cm; (14)Density: 1.04 g/cm3; (15)Flash Point: 161.3 °C; (16)Enthalpy of Vaporization: 58.82 kJ/mol; (17)Boiling Point: 365.9 °C at 760 mmHg; (18)Vapour Pressure: 3.2E-05 mmHg at 25°C.

Uses of Benzene,1,1',1''-(ethenylsilylidyne)tris-: it can be used to produce triphenyl-[2-(tetrahydro-furan-2-yl)-ethyl]-silane at temperature of 190 °C. This reaction will need reagent di(t-butyl)peroxide with reaction time of 2 hours. The yield is about 89%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C=C[Si](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
(2)InChI: InChI=1S/C20H18Si/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h2-17H,1H2
(3)InChIKey: OVOIHGSHJGMSMZ-UHFFFAOYSA-N