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Cas Database |
| Name |
Phenylsilane |
EINECS | 211-772-5 |
| CAS No. | 694-53-1 | Density | 0.877 g/mL at 25 °C(lit.) |
| PSA | 0.00000 | LogP | -0.32270 |
| Solubility | insoluble in water | Melting Point |
-64 to -68°C |
| Formula | C6H8Si | Boiling Point | 119.3 °C at 760 mmHg |
| Molecular Weight | 108.215 | Flash Point | 25.9 °C |
| Transport Information | UN 3399 4.3/PG 2 | Appearance | clear colorless liquid |
| Safety | 16-43 | Risk Codes | 11-14/15-20/22-36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 F, Xn
|
| Synonyms |
Silane,phenyl- (6CI,8CI,9CI);Monophenylsilane;NSC 179699;SIP 6750.0;Silylbenzene;Z 6047; |
Article Data | 53 |
Phenylsilane Synthetic route
| Conditions | Yield |
|---|---|
| In toluene at 65℃; for 4h; Solvent; Inert atmosphere; Glovebox; | A n/a B 86% |
- 75-16-1
methylmagnesium bromide
- 6157-41-1
sodium bis(benzene-1,2-diolatophenyl)silicate
A
- 768-32-1
trimethylphenylsilane
B
- 766-77-8
Dimethylphenylsilane
C
- 694-53-1
phenylsilane
D
- 766-08-5
methylphenylsilane
| Conditions | Yield |
|---|---|
| In diethyl ether at 35℃; for 2h; | A 3% B 85% C 6% D 6% |
| In diethyl ether at 35℃; for 2h; Product distribution; other organometallic compound; var. ratios; | A 3% B 85% C 6% D 6% |
| Conditions | Yield |
|---|---|
| With lithium aluminium tetrahydride In diethyl ether | 84% |
| With lithium aluminium tetrahydride Reduction; | 74% |
| With lithium aluminium tetrahydride; diethyl ether |
- 917-54-4
methyllithium
- 6157-41-1
sodium bis(benzene-1,2-diolatophenyl)silicate
A
- 768-32-1
trimethylphenylsilane
B
- 766-77-8
Dimethylphenylsilane
C
- 694-53-1
phenylsilane
D
- 766-08-5
methylphenylsilane
| Conditions | Yield |
|---|---|
| In diethyl ether at 35℃; for 2h; | A 4% B 81% C 12% D 4% |
| In tetrahydrofuran at 60℃; for 2h; | A 32% B 49% C 9% D 10% |
- 75-16-1
methylmagnesium bromide
- 6157-41-1
sodium bis(benzene-1,2-diolatophenyl)silicate
A
- 766-77-8
Dimethylphenylsilane
B
- 694-53-1
phenylsilane
C
- 766-08-5
methylphenylsilane
| Conditions | Yield |
|---|---|
| In diethyl ether at 0℃; for 2.5h; | A 12% B 79% C 9% |
| Conditions | Yield |
|---|---|
| With lithium aluminium tetrahydride In diethyl ether at 20℃; for 2h; | 72% |
| With lithium aluminium tetrahydride Yield given; |
| Conditions | Yield |
|---|---|
| In not given | 69% |
| 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; | 49% |
| With Y(3+)*2C12H21Si(1-)*H(1-)*C4H8O; 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane In benzene-d6 at 80℃; for 12h; | 8% |
- 4206-75-1
phenylchlorosilane
A
- 27484-20-4
1,2-diphenyldisilane
B
- 50518-29-1
1,2,3-triphenyltrisilane
C
- 694-53-1
phenylsilane
D
- 775-12-2
diphenylsilane
| Conditions | Yield |
|---|---|
| With Mg-anode; stainless steel cathode In tetrahydrofuran for 29h; Electrolysis; | A 38% B n/a C n/a D n/a |
- 98-13-5
Phenyltrichlorosilane
A
- 1631-84-1
dichlorophenylsilane
B
- 694-53-1
phenylsilane
C
- 4206-75-1
phenylchlorosilane
| Conditions | Yield |
|---|---|
| With sodium hydride; lithium chloride In diethylene glycol dimethyl ether at 160℃; for 14h; Inert atmosphere; | A 33% B 19% C 38% |
| With diisobutylaluminium hydride In toluene Solvent; |
Phenylsilane Chemical Properties
Product Name: Phenylsilane
Molecular Structure: 
Molecular Formula : C6H5SiH3
Molecular Weight: 108.21
CAS NO: 694-53-1
EINECS : 211-772-5
Density: 0.877
Boiling point: 120 ºC
Melting point: -64 to -68°C
Flash point: 8 ºC
Enthalpy of Vaporization: 34.27 kJ/mol
Boiling Point: 119.3 °C at 760 mmHg
Vapour Pressure: 19.2 mmHg at 25°C
Refractive index n20/D 1.510(lit.)
Storage temp: Flammables area
Sensitive: Air & Moisture Sensitive
Appearance: Silylbenzene (CAS NO. 694-53-1) is clear colorless liquid
Phenylsilane Uses
Silylbenzene (CAS NO. 694-53-1) is used as organic reagents and pharmaceutical intermediates.
Phenylsilane Toxicity Data With Reference
| 1. | orl-mus LD50:700 mg/kg | 85JCAE Prehled Prumyslove Toxikologie; Organicke Latky Marhold, J.,Prague, Czechoslovakia.: Avicenum,1986,1227. | ||
| 2. | ihl-mus LC50:14,500 mg/m3/2H | 85JCAE Prehled Prumyslove Toxikologie; Organicke Latky Marhold, J.,Prague, Czechoslovakia.: Avicenum,1986,1227. |
Phenylsilane Consensus Reports
Reported in EPA TSCA Inventory.
Phenylsilane Safety Profile
Hazard Codes.gif){kind=small}
F ,
Xn
Risk Statements 11-14-15-20/22-36/37/38
R11:Highly flammable.
R14 :Reacts violently with water.
R15:Contact with water liberates extremely flammable gases.
R20/22:Harmful by inhalation and if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements 16-43
S16:Keep away from sources of ignition.
S43:In case of fire use ... (there follows the type of fire-fighting equipment to be used.)
RIDADR UN 3399 4.3/PG 2
WGK Germany 1
RTECS VV4825000
F 10-21
TSCA Yes
HazardClass 4.3
PackingGroup II
Phenylsilane Specification
1.General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Vapors can travel to a source of ignition and flash back. Will burn if involved in a fire. Water Reactive. Material will react with water and may release a flammable and/or toxic gas. Flammable liquid and vapor.
2.Extinguishing Media: Use foam, dry chemical, or carbon dioxide. DO NOT USE WATER!
3.Handling: Use spark-proof tools and explosion proof equipment. Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Avoid ingestion and inhalation.
4.Storage: Keep Silylbenzene (CAS NO. 694-53-1) away from heat, sparks, and flame. Keep away from sources of ignition. Store in a cool, dry place. Store in a tightly closed container. Keep under a nitrogen blanket. Flammables-area.
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