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Name |
Dimethoxymethylphenylsilane |
EINECS | 221-192-4 |
CAS No. | 3027-21-2 | Density | 0.97 g/cm3 |
PSA | 18.46000 | LogP | 1.25840 |
Solubility | N/A | Melting Point |
73-75 °C |
Formula | C9H14O2Si | Boiling Point | 199.5 °C at 760 mmHg |
Molecular Weight | 182.294 | Flash Point | 80.6 °C |
Transport Information | N/A | Appearance | colorless or yellowish transparent liquid |
Safety | 26-36 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Silane,dimethoxymethylphenyl- (6CI,7CI,8CI,9CI);Dimethoxymethylphenylsilane;Dimethoxyphenylmethylsilane;Methylphenyldimethoxysilane;NSC 93924;Phenylmethyldimethoxysilane;SM 2;SM 2 (silane);Z 6073; |
Article Data | 24 |
Methyltrichlorosilane
Methyltrimethoxysilan
chlorobenzene
dimethoxy(methyl)phenylsilane
Conditions | Yield |
---|---|
Stage #1: Methyltrimethoxysilan; chlorobenzene With magnesium In tetrahydrofuran for 1h; Reflux; Stage #2: Methyltrichlorosilane; Methyltrimethoxysilan; chlorobenzene In tetrahydrofuran for 6.5h; Concentration; Reflux; | 99.6% |
Conditions | Yield |
---|---|
In diethyl ether for 1h; Reflux; | 95% |
Conditions | Yield |
---|---|
With C18H24N2O2Zn In neat (no solvent) at 20℃; for 0.5h; Solvent; Inert atmosphere; | 92% |
With air; hydrido(triphenylphosphine)copper(I) hexamer In benzene for 4.5h; Ambient temperature; | 83% |
With C30H48N8Zn2 In tetrahydrofuran-d8 at 25℃; for 0.166667h; Inert atmosphere; |
Conditions | Yield |
---|---|
Stage #1: bromobenzene With magnesium; methyl iodide In tetrahydrofuran for 0.1h; Inert atmosphere; Reflux; Large scale; Stage #2: Methyltrimethoxysilan In tetrahydrofuran at 90℃; for 6.3h; Inert atmosphere; Large scale; | 90.2% |
With sodium at 38℃; for 2h; Temperature; Reagent/catalyst; | 80% |
methanol
sodium methylate
dichloromethylphenylsilane
dimethoxy(methyl)phenylsilane
Conditions | Yield |
---|---|
With hydrogenchloride In water at 40 - 70℃; for 1h; | 88.6% |
Conditions | Yield |
---|---|
With 15-crown-5; sodium at 38℃; for 2h; Temperature; | 87% |
Stage #1: chlorobenzene With magnesium In tetrahydrofuran for 1.5h; Inert atmosphere; Reflux; Large scale; Stage #2: With methyl iodide In tetrahydrofuran for 1h; Inert atmosphere; Heating; Large scale; Stage #3: Methyltrimethoxysilan In tetrahydrofuran at 90℃; for 7h; Inert atmosphere; Large scale; | 67% |
1,3-bis(4-hydroxybutyl)tetramethyldisiloxane
dimethoxy(methyl)phenylsilane
A
methanol
Conditions | Yield |
---|---|
With hydrogenchloride In water for 4.5h; Heating / reflux; | A n/a B 100% |
Conditions | Yield |
---|---|
With sodium hexaflorophosphate In various solvent(s) at 200℃; for 0.75h; | 98% |
dimethoxy(methyl)phenylsilane
isopropylmagnesium chloride
rac-isopropylmethoxymethylphenylsilane
Conditions | Yield |
---|---|
In tetrahydrofuran; diethyl ether for 18h; Inert atmosphere; Reflux; | 97% |
Conditions | Yield |
---|---|
With CBV600 at 110℃; for 0.0833333h; Temperature; Microwave irradiation; Inert atmosphere; | 95.8% |
With CBV600 at 80℃; for 0.0833333h; Temperature; Reagent/catalyst; Microwave irradiation; |
Reported in EPA TSCA Inventory.
The Dimethoxymethylphenylsilane, with the CAS registry number 3027-21-2, has the systematic name of Benzene, (dimethoxymethylsilyl)-. Being a kind of colorless or yellowish transparent liquid, its product categories are including Organics; Dialkoxysilanes; Functional Materials; Si (Classes of Silicon Compounds); Silane Coupling Agents; Silane Coupling Agents (Intermediates); Si-O Compounds; Phenyl Silanes.
The characteristics of this chemical are as follows: (1)ACD/LogP: 3.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.82; (4)ACD/LogD (pH 7.4): 3.82; (5)ACD/BCF (pH 5.5): 473.63; (6)ACD/BCF (pH 7.4): 473.63; (7)ACD/KOC (pH 5.5): 2862.1; (8)ACD/KOC (pH 7.4): 2862.1; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 18.46; (13)Index of Refraction: 1.475; (14)Molar Refractivity: 52.87 cm3; (15)Molar Volume: 187.6 cm3; (16)Polarizability: 20.96×10-24 cm3; (17)Surface Tension: 26.1 dyne/cm; (18)Density: 0.97 g/cm3; (19)Flash Point: 80.6 °C; (20)Enthalpy of Vaporization: 41.79 kJ/mol; (21)Boiling Point: 199.5 °C at 760 mmHg; (22)Vapour Pressure: 0.48 mmHg at 25°C; (23)Exact Mass: 182.076306; (24)MonoIsotopic Mass: 182.076306; (25)Topological Polar Surface Area: 18.5; (26)Heavy Atom Count: 12; (27)Complexity: 129.
When you are dealing with this chemical, you should be cautious. For being a kind of chemical which is irritating to eyes, respiratory system and skin, it may also cause inflammation to the skin or other mucous membranes. Therefore, you should wear suitable protective clothing. And if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: CO[Si](C)(C1=CC=CC=C1)OC
(2)InChI: InChI=1S/C9H14O2Si/c1-10-12(3,11-2)9-7-5-4-6-8-9/h4-8H,1-3H3
(3)InChIKey: CVQVSVBUMVSJES-UHFFFAOYSA-N
Below are the toxicity information of this chemical:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | oral | 680mg/kg (680mg/kg) | "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 1234, 1986. | |
rat | LD50 | oral | 892mg/kg (892mg/kg) | BEHAVIORAL: FLUID INTAKE BEHAVIORAL: COMA | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 22(2), Pg. 50, 1978. |