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Name |
Dichloromethylphenylsilane |
EINECS | 205-746-2 |
CAS No. | 149-74-6 | Density | 1.176 g/cm3 |
PSA | 0.00000 | LogP | 2.44320 |
Solubility | reacts in water | Melting Point |
-53 °C |
Formula | C7H8Cl2Si | Boiling Point | 205 °C at 760 mmHg |
Molecular Weight | 191.132 | Flash Point | 73.2 °C |
Transport Information | UN 2437 8/PG 2 | Appearance | clear colourless liquid |
Safety | 26-36/37/39-43-45 | Risk Codes | 14-34 |
Molecular Structure | Hazard Symbols | C | |
Synonyms |
Silane,dichloromethylphenyl- (8CI,9CI);Dichlorophenylmethylsilane;LS 1490;Methylphenyldichlorosilane;NSC 96621;Phenyldichloro(methyl)silane;Phenylmethyldichlorosilane;TSL 8067;[(Dichloro)methylsilyl]benzene; |
Article Data | 77 |
Conditions | Yield |
---|---|
With trichloroisocyanuric acid In dichloromethane Heating; | 95.5% |
With copper(l) iodide; copper dichloride In diethyl ether at 20℃; for 3h; Inert atmosphere; | 94.2% |
With tellurium tetrachloride In benzene for 4.5h; Heating; | 90% |
With hydrogenchloride; ether adduct of tris(pentafluorophenyl)boron In toluene at 20℃; for 16h; Schlenk technique; Inert atmosphere; Cooling with liquid nitrogen; | 99 %Spectr. |
With dichloromethane; eosin y at 20℃; for 8h; Reagent/catalyst; Sealed tube; Inert atmosphere; Irradiation; Green chemistry; | 99 %Spectr. |
Conditions | Yield |
---|---|
With benzene In neat (no solvent) CH3SiHCl2 and C6H6 with a silylboron acid ester as catalyst at 200-210°C;; | 46% |
With C6H6; tris(trimethylsilyl)borate In neat (no solvent) (CH3)SiHCl2 and benzene at 200°C;; | 46% |
With benzene; tris(trimethylsilyl)borate In neat (no solvent) (CH3)SiHCl2 and benzene at 200°C;; | 46% |
Conditions | Yield |
---|---|
aluminium trichloride at 120℃; for 3h; in autoclave; | 25% |
tetramethylsilane
Phenyltrichlorosilane
A
chloro-trimethyl-silane
B
dichloromethylphenylsilane
Conditions | Yield |
---|---|
aluminium trichloride at 120℃; for 3h; Product distribution; in autoclave; | A 25% B 25% |
Conditions | Yield |
---|---|
With zirconium(IV) chloride |
Conditions | Yield |
---|---|
With diethyl ether | |
In tetrahydrofuran at 20℃; Kinetics; Further Variations:; Solvents; Reaction partners; | |
In tetrahydrofuran at 20℃; Kinetics; Further Variations:; Reaction partners; |
Conditions | Yield |
---|---|
at 400℃; unter Druck; | |
at 20 - 540℃; under 750.075 Torr; for 0.00138889h; Product distribution / selectivity; Gas phase; | |
With cleavable disilane at 540 - 590℃; under 750.075 Torr; for 0.00138889h; Product distribution / selectivity; Gas phase; | |
With dicumene at 590℃; under 750.075 Torr; for 0.00138889h; Product distribution / selectivity; Gas phase; |
bromobenzene
Methyltrichlorosilane
A
chloromethyldiphenylsilane
B
dichloromethylphenylsilane
Conditions | Yield |
---|---|
With magnesium 1) ether, 2) ether; Multistep reaction; |
Reported in EPA TSCA Inventory. EPA Extremely Hazardous Substances List.
DOT Classification: 8; Label: Corrosive
The Dichloromethylphenylsilane, with the CAS registry number 149-74-6, is also known as Phenylmethyldichlorosilane. It belongs to the product categories of Organosilicon Reagents; Dichlorosilanes; Dichlorosilanes (for Polysilanes); Functional Materials; Reagent for High-Performance Polymer Research; Si (Classes of Silicon Compounds); Si-Cl Compounds. Its EINECS registry number is 205-746-2. Its IUPAC name is called dichloro-methyl-phenylsilane. This chemical is clear colourless liquid which should be sealed in a dry cool place. Its classification code is Organometallic. What's more, it can be used in the synthesis of organic silicon and is one of important monomer in organic silicon synthesis .
Physical properties of Dichloromethylphenylsilane: (1)ACD/LogP: 4.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.94; (4)ACD/LogD (pH 7.4): 4.94; (5)ACD/BCF (pH 5.5): 3316.78; (6)ACD/BCF (pH 7.4): 3316.78; (7)ACD/KOC (pH 5.5): 11527.18; (8)ACD/KOC (pH 7.4): 11527.18; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.514; (13)Molar Refractivity: 49.8 cm3; (14)Molar Volume: 165.2 cm3; (15)Surface Tension: 28.4 dyne/cm; (16)Density: 1.15 g/cm3; (17)Flash Point: 73.2 °C; (18)Enthalpy of Vaporization: 42.32 kJ/mol; (19)Boiling Point: 205 °C at 760 mmHg; (20)Vapour Pressure: 0.366 mmHg at 25°C.
Uses of Dichloromethylphenylsilane: it can be used to produce dimethoxy-methyl-phenyl-silane at temperature of 7-10 °C. This reaction will need reagent pyridine and solvent benzene. The yield is about 86%.
When you are using this chemical, please be cautious about it as the following:
This chemical may destroy living tissue on contact. It reacts violently with water. In addition, it also may cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C[Si](C1=CC=CC=C1)(Cl)Cl
(2)InChI: InChI=1S/C7H8Cl2Si/c1-10(8,9)7-5-3-2-4-6-7/h2-6H,1H3
(3)InChIKey: GNEPOXWQWFSSOU-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mammal (species unspecified) | LC50 | inhalation | 150mg/m3 (150mg/m3) | LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA LIVER: FATTY LIVER DEGERATION BLOOD: OTHER CHANGES | Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. Vol. 3, Pg. 81, 1961. |
mouse | LCLo | inhalation | 30mg/m3/2H (30mg/m3) | LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES LIVER: FATTY LIVER DEGERATION BLOOD: CHANGES IN SPLEEN | Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. Vol. 3, Pg. 61, 1961. |
mouse | LDLo | intraperitoneal | 100mg/kg (100mg/kg) | Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. Vol. 3, Pg. 81, 1961. | |
mouse | LDLo | subcutaneous | 100mg/kg (100mg/kg) | Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. Vol. 3, Pg. 81, 1961. | |
rat | LDLo | intraperitoneal | 100mg/kg (100mg/kg) | Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. Vol. 3, Pg. 81, 1961. |