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Cas Database |
| Name |
Benzene,1,1'-[(dimethylsilylene)di-2,1-ethynediyl]bis- |
EINECS | N/A |
| CAS No. | 2170-08-3 | Density | 1.03g/cm3 |
| PSA | 0.00000 | LogP | 3.87660 |
| Solubility | N/A | Melting Point |
78-81°C |
| Formula | C18H16Si | Boiling Point | 358.3 °C at 760 mmHg |
| Molecular Weight | 260.411 | Flash Point | 160.8 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 26-36/37/39 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Silane,dimethylbis(phenylethynyl)- (7CI,8CI,9CI);Bis(phenylethynyl)dimethylsilane;Dimethylbis(phenylethynyl)silane; |
Article Data | 29 |
Benzene,1,1'-[(dimethylsilylene)di-2,1-ethynediyl]bis- Specification
The Benzene,1,1'-[(dimethylsilylene)di-2,1-ethynediyl]bis-, with CAS registry number 2170-08-3, has the systematic name of dimethyl[bis(phenylethynyl)]silane. Besides this, it is also called Bis(phenylethynyl)dimethylsilane. And the chemical formula of this chemical is C18H16Si.
Physical properties of Benzene,1,1'-[(dimethylsilylene)di-2,1-ethynediyl]bis-: (1)ACD/LogP: 7.74; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.74; (4)ACD/LogD (pH 7.4): 7.74; (5)ACD/BCF (pH 5.5): 449157.44; (6)ACD/BCF (pH 7.4): 449157.44; (7)ACD/KOC (pH 5.5): 386864.38; (8)ACD/KOC (pH 7.4): 386864.38; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.584; (14)Molar Refractivity: 84.02 cm3; (15)Molar Volume: 250.8 cm3; (16)Polarizability: 33.31×10-24cm3; (17)Surface Tension: 40.4 dyne/cm; (18)Density: 1.03 g/cm3; (19)Flash Point: 160.8 °C; (20)Enthalpy of Vaporization: 57.99 kJ/mol; (21)Boiling Point: 358.3 °C at 760 mmHg; (22)Vapour Pressure: 5.32E-05 mmHg at 25°C.
Preparation: this chemical can be prepared by dichloro-dimethyl-silane and ethynylbenzene. This reaction will need reagent Zn and solvent acetonitrile. The reaction time is 5 hour(s) with reaction temperature of 120 ℃. The yield is about 98%.
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Uses of Benzene,1,1'-[(dimethylsilylene)di-2,1-ethynediyl]bis-: it can be used to produce 2-benzylidene-1,1-dimethyl-4-phenyl-1,2-dihydro-silete. This reaction will need reagent H2O.
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When you are using this chemical, please be cautious about it as the following:
The Benzene,1,1'-[(dimethylsilylene)di-2,1-ethynediyl]bis- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: C[Si](C)(C#Cc1ccccc1)C#Cc2ccccc2
(2)InChI: InChI=1/C18H16Si/c1-19(2,15-13-17-9-5-3-6-10-17)16-14-18-11-7-4-8-12-18/h3-12H,1-2H3
(3)InChIKey: LRBLIVYQOCFXPX-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C18H16Si/c1-19(2,15-13-17-9-5-3-6-10-17)16-14-18-11-7-4-8-12-18/h3-12H,1-2H3
(5)Std. InChIKey: LRBLIVYQOCFXPX-UHFFFAOYSA-N
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