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Cas Database |
| Name |
Benzene,1,1'-(methylsilylene)bis- |
EINECS | 212-281-9 |
| CAS No. | 776-76-1 | Density | 0.995 g/mL at 25 °C(lit.) |
| PSA | 0.00000 | LogP | 1.65770 |
| Solubility | N/A | Melting Point |
20 °C |
| Formula | C13H13Si | Boiling Point | 266.8 °C at 760 mmHg |
| Molecular Weight | 198.34 | Flash Point | 101.8 °C |
| Transport Information | N/A | Appearance | colourless liquid |
| Safety | 26-36 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
Silane,methyldiphenyl- (6CI,7CI,8CI,9CI);Diphenylmethylsilane;Methyldiphenylsilane;NSC 111638;SID 4555.0;methyl(diphenyl)silane;benzene, 1,1'-(methylsilylene)bis-;Silane, methyldiphenyl-;Methyl(diphenyl)silan; |
Article Data | 65 |
Benzene,1,1'-(methylsilylene)bis- Synthetic route
- 4319-49-7
1-aminomorpholine
- 1172-76-5
1,2-dimethyl-1,1,2,2-tetraphenyldisilane
A
- 776-76-1
methyldiphenylsilane
B
- 121667-15-0
1-morpholine
| Conditions | Yield |
|---|---|
| With potassium hydride In tetrahydrofuran; N,N,N,N,N,N-hexamethylphosphoric triamide for 72h; Ambient temperature; | A 96% B 93% |
- 18407-48-2
methoxy(methyl)diphenylsilane
- 776-76-1
methyldiphenylsilane
| Conditions | Yield |
|---|---|
| With N,N,N,N,N,N-hexamethylphosphoric triamide; sodium tetrahydroborate; ethyl bromide; tetraoctyl ammonium bromide In benzene-d6 at 20℃; for 24h; Reagent/catalyst; Solvent; | 92% |
- 144-79-6
chloromethyldiphenylsilane
A
- 776-76-1
methyldiphenylsilane
B
- 1172-76-5
1,2-dimethyl-1,1,2,2-tetraphenyldisilane
| Conditions | Yield |
|---|---|
| Stage #1: chloromethyldiphenylsilane In tetrahydrofuran at 30℃; for 10h; Stage #2: With hydrogenchloride In 1,4-dioxane | A 91% B 5% |
| With aluminium trichloride 1) electrolysis; Yield given. Multistep reaction. Yields of byproduct given; |
| Conditions | Yield |
|---|---|
| With 1,3-dimethyl-2-imidazolidinone; sodium hexamethyldisilazane In tetrahydrofuran at 185℃; | A n/a B 91% |
- 1172-76-5
1,2-dimethyl-1,1,2,2-tetraphenyldisilane
- 57-14-7
1,1-dimethylhydrazine
A
- 776-76-1
methyldiphenylsilane
B
- 121667-17-2
1,1-bis(diphenylmethylsilyl)-2,2-dimethylhydrazine
| Conditions | Yield |
|---|---|
| With potassium hydride In tetrahydrofuran; N,N,N,N,N,N-hexamethylphosphoric triamide for 72h; Ambient temperature; | A 89% B 83% |
| Conditions | Yield |
|---|---|
| With sodium tetrahydroborate In acetonitrile at 20℃; for 0.25h; Solvent; Reagent/catalyst; Schlenk technique; Inert atmosphere; | 84% |
| Stage #1: chloromethyldiphenylsilane With N,N,N,N,N,N-hexamethylphosphoric triamide; magnesium at 90℃; for 20h; Inert atmosphere; Stage #2: Acidic conditions; | 77.9% |
| Stage #1: chloromethyldiphenylsilane With sodium iodide In tetrahydrofuran; benzene-d6 at 20℃; for 2h; Inert atmosphere; Schlenk technique; Stage #2: With [N-[4-(dimethylamino)phenyl]-2-pyridinecarboxamidato](pentamethylcyclopentadienyl)iridium trifluorometanesulfonate; hydrogen; N-ethyl-N,N-diisopropylamine In tetrahydrofuran; benzene-d6 at -196 - 60℃; under 3040.2 Torr; for 48h; Schlenk technique; | 42% |
| With lithium aluminium tetrahydride | |
| With water; N,N,N,N-tetraethylammonium tetrafluoroborate 1) DME, HMPA, -6 deg C, electrolysis; Yield given. Multistep reaction; |
| Conditions | Yield |
|---|---|
| With [Ni2(1,3-diisopropyl-imidazolin-2-ylidene)4(μ-1,5-cyclooctadiene)]; hydrogen In toluene at 20℃; under 1350.14 Torr; for 48h; Catalytic behavior; Inert atmosphere; Schlenk technique; | 83% |
| Conditions | Yield |
|---|---|
| With magnesium In tetrahydrofuran at 0 - 20℃; Inert atmosphere; Schlenk technique; | 82% |
| With magnesium 2) ether; Multistep reaction; |
- 16853-85-3
lithium aluminium tetrahydride
- 144-79-6
chloromethyldiphenylsilane
- 776-76-1
methyldiphenylsilane
| Conditions | Yield |
|---|---|
| In not given | 78% |
- 72443-54-0
Benzyldimethyl<(methyldiphenylsilyl)methyl>ammonium bromide
A
- 103-83-3
N,N'-dimethylbenzylamine
B
- 776-76-1
methyldiphenylsilane
C
- 54926-32-8
1-(Diphenylmethylsilyl)-trimethylamin
D
- 4525-48-8
N,N-dimethyl(2-methylbenzyl)amine
| Conditions | Yield |
|---|---|
| With lithium aluminium tetrahydride In tetrahydrofuran for 10h; Heating; Further byproducts given; | A 3% B 77% C 14% D 25% |
Benzene,1,1'-(methylsilylene)bis- Specification
The Benzene,1,1'-(methylsilylene)bis-, with the CAS registry number 776-76-1 and EINECS registry number 212-281-9, has the systematic name of methyl(diphenyl)silane. It is a kind of clear colorless liquid, and belongs to the following product categories: Reduction; Si (Classes of Silicon Compounds); Si-H Compounds; Silicon Compounds (for Synthesis); Synthetic Organic Chemistry. And the molecular formula of the chemical is C13H13Si.
The characteristics of Benzene,1,1'-(methylsilylene)bis- are as followings: (1)ACD/LogP: 5.26; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.25; (4)ACD/LogD (pH 7.4): 5.25; (5)ACD/BCF (pH 5.5): 5804.32; (6)ACD/BCF (pH 7.4): 5804.32; (7)ACD/KOC (pH 5.5): 17206.21; (8)ACD/KOC (pH 7.4): 17206.21; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 0 Å2; (13)Flash Point: 101.8 °C; (14)Enthalpy of Vaporization: 48.44 kJ/mol; (15)Boiling Point: 266.8 °C at 760 mmHg; (16)Vapour Pressure: 0.0139 mmHg at 25°C.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1(ccccc1)[SiH](c2ccccc2)C
(2)InChI: InChI=1/C13H14Si/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,14H,1H3
(3)InChIKey: FULSRCPEOUATID-UHFFFAOYAJ
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