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6843-66-9

Basic Information
CAS No.: 6843-66-9
Name: Diphenyldimethoxysilane
Article Data: 41
Molecular Structure:
Molecular Structure of 6843-66-9 (Diphenyldimethoxysilane)
Formula: C14H16O2Si
Molecular Weight: 244.365
Synonyms: Silane,dimethoxydiphenyl- (6CI,7CI,8CI,9CI);AY 43-047;AZ 6183;D 6010;Dimethoxydiphenylsilane;KBM 202;KBM 202LS5300;KBM202S;KBM 202SS;LS 5300;NSC 93509;OF 1 (silane);TSL 8172;Z 6074;
EINECS: 229-929-1
Density: 1.05 g/cm3
Melting Point: <0 °C
Boiling Point: 286.6 °C at 760 mmHg
Flash Point: 159.1 °C
Solubility: 3mg/L at 20℃
Appearance: Colorless clear liquid
Hazard Symbols: IrritantXi
Risk Codes: 38
Safety: 28-37
PSA: 18.46000
LogP: 1.53580
Synthetic route
67-56-1

methanol

775-12-2

diphenylsilane

6843-66-9

dimethoxy(diphenyl)silane

Conditions
ConditionsYield
With potassium hexamethylsilazane In neat liquid at 30℃; for 2h; Schlenk technique; Inert atmosphere; chemoselective reaction;99%
With chlorine[2-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxypyridine](pentamethylcyclopentadienyl)iridium(III) chloride In tetrahydrofuran at 20℃; for 8h; Schlenk technique; chemoselective reaction;90%
With air; hydrido(triphenylphosphine)copper(I) hexamer In benzene for 1.5h; Ambient temperature;76%
67-56-1

methanol

Cp*Mo(CO)2(κ2-N,Si-iPrHNSiPh2)

A

Cp*(CO)2Mo(μ-OMe)(μ-H)Mo(CO)2Cp*

B

6843-66-9

dimethoxy(diphenyl)silane

C

75-31-0

isopropylamine

Conditions
ConditionsYield
In benzene-d6 at 20℃; for 24h; Cooling with liquid nitrogen; Sealed tube; Inert atmosphere;A n/a
B 97%
C 74%
67-56-1

methanol

methoxydiphenyl(isopropyl-amino)silane

6843-66-9

dimethoxy(diphenyl)silane

Conditions
ConditionsYield
In benzene-d6 at 20℃; for 2h; Cooling with liquid nitrogen; Sealed tube; Inert atmosphere;95%
67-56-1

methanol

124-41-4

sodium methylate

80-10-4

diphenylsilyl dichloride

6843-66-9

dimethoxy(diphenyl)silane

Conditions
ConditionsYield
In diethyl ether at 40℃; for 4h; Time; Temperature; Inert atmosphere;94.16%
124-41-4

sodium methylate

80-10-4

diphenylsilyl dichloride

6843-66-9

dimethoxy(diphenyl)silane

Conditions
ConditionsYield
In methanol; diethyl ether at 40℃; for 4h; Temperature; Concentration; Solvent; Inert atmosphere;94.16%
67-56-1

methanol

80-10-4

diphenylsilyl dichloride

6843-66-9

dimethoxy(diphenyl)silane

Conditions
ConditionsYield
In diethyl ether at 40℃; for 3.5h; Inert atmosphere;78.3%
3115-68-2

tetrabutyl phosphonium bromide

80-10-4

diphenylsilyl dichloride

6843-66-9

dimethoxy(diphenyl)silane

Conditions
ConditionsYield
In sulfolane78%
681-84-5

tetramethylorthosilicate

20699-69-8

[diphenylmanganese]

A

2996-92-1

phenyl trimethylsiloxane

B

6843-66-9

dimethoxy(diphenyl)silane

Conditions
ConditionsYield
In toluene at 80℃; for 2h; Inert atmosphere; Schlenk technique;A 12%
B 77%
681-84-5

tetramethylorthosilicate

diphenylmanganese

A

2996-92-1

phenyl trimethylsiloxane

B

6843-66-9

dimethoxy(diphenyl)silane

Conditions
ConditionsYield
In toluene at 80℃; for 2h; Inert atmosphere; Schlenk technique;A 12%
B 77%
67-56-1

methanol

71-43-2

benzene

6843-66-9

dimethoxy(diphenyl)silane

Conditions
ConditionsYield
Stage #1: methanol; benzene With pyridine; tetrachlorosilane for 0.333333h; cooling;
Stage #2: at 70 - 80℃; for 5h;
71%
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Specification

The Benzene,1,1'-(dimethoxysilylene)bis-, with the CAS registry number 6843-66-9, has the IUPAC name of dimethoxy(diphenyl)silane. For being a kind of colorless clear liquid, it is sensitive to moisture, with the product categories including Dialkoxysilanes; Functional Materials; Si (Classes of Silicon Compounds); Silane Coupling Agents; Silane Coupling Agents (Intermediates); Si-O Compounds; Phenyl Silanes. As to its usage, it is usually applied in the propylene polymerization reaction.

The characteristics of this chemical are as follows: (1)ACD/LogP: 3.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.86; (4)ACD/LogD (pH 7.4): 3.86; (5)ACD/BCF (pH 5.5): 502.98; (6)ACD/BCF (pH 7.4): 502.98; (7)ACD/KOC (pH 5.5): 2987.93; (8)ACD/KOC (pH 7.4): 2987.93; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 18.46; (13)Index of Refraction: 1.543; (14)Molar Refractivity: 72.95 cm3; (15)Molar Volume: 231.3 cm3; (16)Polarizability: 28.92 ×10-24 cm3; (17)Surface Tension: 33.8 dyne/cm; (18)Density: 1.05 g/cm3; (19)Flash Point: 159.1 °C; (20)Enthalpy of Vaporization: 50.46 kJ/mol; (21)Boiling Point: 286.6 °C at 760 mmHg; (22)Vapour Pressure: 0.00451 mmHg at 25°C; (23)Exact Mass: 244.091956; (24)MonoIsotopic Mass: 244.091956; (25)Topological Polar Surface Area: 18.5; (26)Heavy Atom Count: 17; (27)Complexity: 196; (28)Covalently-Bonded Unit Count: 1.

When you are dealing with this chemical, you should be cautious. This is a irritating to skin and may cause inflammation to the skin or other mucous membranes, so you should wear suitable gloves. After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer).

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: CO[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC
(2)InChI: InChI=1S/C14H16O2Si/c1-15-17(16-2,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,1-2H3
(3)InChIKey: AHUXYBVKTIBBJW-UHFFFAOYSA-N 

Below are the toxicity information of this chemical:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LC inhalation > 42mg/m3/4H (42mg/m3)   National Technical Information Service. Vol. OTS0539962,