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3027-21-2

Basic Information
CAS No.: 3027-21-2
Name: Dimethoxymethylphenylsilane
Article Data: 24
Molecular Structure:
Molecular Structure of 3027-21-2 (Dimethoxymethylphenylsilane)
Formula: C9H14O2Si
Molecular Weight: 182.294
Synonyms: Silane,dimethoxymethylphenyl- (6CI,7CI,8CI,9CI);Dimethoxymethylphenylsilane;Dimethoxyphenylmethylsilane;Methylphenyldimethoxysilane;NSC 93924;Phenylmethyldimethoxysilane;SM 2;SM 2 (silane);Z 6073;
EINECS: 221-192-4
Density: 0.97 g/cm3
Melting Point: 73-75 °C
Boiling Point: 199.5 °C at 760 mmHg
Flash Point: 80.6 °C
Appearance: colorless or yellowish transparent liquid
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 18.46000
LogP: 1.25840
Synthetic route
75-79-6

Methyltrichlorosilane

1185-55-3

Methyltrimethoxysilan

108-90-7

chlorobenzene

3027-21-2

dimethoxy(methyl)phenylsilane

Conditions
ConditionsYield
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%
1185-55-3

Methyltrimethoxysilan

100-58-3

phenylmagnesium bromide

3027-21-2

dimethoxy(methyl)phenylsilane

Conditions
ConditionsYield
In diethyl ether for 1h; Reflux;95%
67-56-1

methanol

766-08-5

methylphenylsilane

3027-21-2

dimethoxy(methyl)phenylsilane

Conditions
ConditionsYield
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;
108-86-1

bromobenzene

1185-55-3

Methyltrimethoxysilan

3027-21-2

dimethoxy(methyl)phenylsilane

Conditions
ConditionsYield
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%
67-56-1

methanol

124-41-4

sodium methylate

149-74-6

dichloromethylphenylsilane

3027-21-2

dimethoxy(methyl)phenylsilane

Conditions
ConditionsYield
With hydrogenchloride In water at 40 - 70℃; for 1h;88.6%
1185-55-3

Methyltrimethoxysilan

108-90-7

chlorobenzene

3027-21-2

dimethoxy(methyl)phenylsilane

Conditions
ConditionsYield
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%
5931-17-9

1,3-bis(4-hydroxybutyl)tetramethyldisiloxane

3027-21-2

dimethoxy(methyl)phenylsilane

A

67-56-1

methanol

B

hydroxybutyl-terminated polymethylsiloxane with fifty percent phenyl content

hydroxybutyl-terminated polymethylsiloxane with fifty percent phenyl content

Conditions
ConditionsYield
With hydrogenchloride In water for 4.5h; Heating / reflux;A n/a
B 100%
3027-21-2

dimethoxy(methyl)phenylsilane

328-57-4

methyldifluorophenylsilane

Conditions
ConditionsYield
With sodium hexaflorophosphate In various solvent(s) at 200℃; for 0.75h;98%
3027-21-2

dimethoxy(methyl)phenylsilane

1068-55-9

isopropylmagnesium chloride

40299-93-2

rac-isopropylmethoxymethylphenylsilane

Conditions
ConditionsYield
In tetrahydrofuran; diethyl ether for 18h; Inert atmosphere; Reflux;97%
111-87-5

octanol

3027-21-2

dimethoxy(methyl)phenylsilane

(methoxy)(octoxy)(methyl)(phenyl)silane

Conditions
ConditionsYield
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;
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  • Casno:

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  • Casno:

    3027-21-2

    Dimethoxymethylphenylsilane

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

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.