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| CAS No.: | 13465-77-5 |
|---|---|
| Name: | HEXACHLORODISILANE |
| Article Data: | 49 |
| Molecular Structure: | |
|
|
|
| Formula: | Cl6Si2 |
| Molecular Weight: | 268.889 |
| Synonyms: | Disilane,hexachloro- (9CI);Silicon chloride (Si2Cl6) (6CI,7CI,8CI);1,1,1,2,2,2-Hexachlorodisilane;Disilicon hexachloride;Hexachlorodisilane; |
| EINECS: | 236-704-1 |
| Density: | 1.597g/cm3 |
| Melting Point: | <0°C |
| Boiling Point: | 144.5 °C at 760 mmHg |
| Flash Point: | 78°C |
| Appearance: | colourless liquid |
| Hazard Symbols: |
|
| Risk Codes: | 14-34 |
| Safety: | 26-36/37/39-45 |
| Transport Information: | UN 2987 8/PG 2 |
| PSA: | 0.00000 |
| LogP: | 3.37540 |
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- 7440-21-3
silicon
A
- 10026-04-7, 53609-55-5
tetrachlorosilane
B
- 13465-77-5
hexachlorodisilane
C
- 13596-23-1
perchlorotrisilane
| Conditions | Yield |
|---|---|
| In neat (no solvent) chlorination of crude Si at 300-310 °C; best yield of SiCl4;; | A 80% B n/a C n/a |
| Conditions | Yield |
|---|---|
| With aluminium trichloride In hexane Ph3SiSiPh3, AlCl3 and CH3COCl in hexane were stirred overnight; hexane added; upper phase septd.; hexane removed (vac.); redistd.; | 55% |
- 67-66-3
chloroform
- 10025-78-2
trichlorosilane
B
- 10026-04-7, 53609-55-5
tetrachlorosilane
C
- 31411-98-0
1,1,1,2,2-pentachlorodisilane
D
- 13465-77-5
hexachlorodisilane
| Conditions | Yield |
|---|---|
| byproducts: CH2Cl2; copyrolysis (1:1), quartz tube (550°C, yields of products depending on temperature (350 to 600°C)), product condensing; products not isolated, reaction monitoring by mass spectroscopy; | A 1.3% B 46.7% C 1.9% D 1% |
- 67-66-3
chloroform
- 10025-78-2
trichlorosilane
B
- 10026-04-7, 53609-55-5
tetrachlorosilane
C
- 31411-98-0
1,1,1,2,2-pentachlorodisilane
D
- 1558-24-3
trichloro(dichloromethyl)silane
E
- 13465-77-5
hexachlorodisilane
| Conditions | Yield |
|---|---|
| copyrolysis (1% CHCl3), quartz tube (575°C, retention time 30 s, yields of products depending on temperature (350 to 600°C)), product condensing; products not isolated, reaction monitoring by mass spectroscopy; | A 1.7% B 25.8% C 5.1% D 0.7% E 1.6% |
- 7440-21-3
silicon
A
- 10026-04-7, 53609-55-5
tetrachlorosilane
B
- 12134-36-0
copper silicide
C
- 13465-77-5
hexachlorodisilane
| Conditions | Yield |
|---|---|
| In neat (no solvent) byproducts: Cu; CuCl particles were deposited on a Si wafer by dipping in a slurry of CuCl in hexane; coated wafer was heated at 380°C in a furnace for 1-60 min;; mixt. not sepd.;; |
| Conditions | Yield |
|---|---|
| In neat (no solvent) vivious reaction under formation of Ca and Si2Cl6, which are burning;; |
- 56-23-5
tetrachloromethane
- 7440-21-3
silicon
A
- 127-18-4
1,1,2,2-tetrachloroethylene
B
- 10026-04-7, 53609-55-5
tetrachlorosilane
C
- 5926-33-0
hexa-Si-chloro-Si,Si'-(1,2-dichloro-ethene-1,2-diyl)-bis-silane
D
- 18038-55-6
1,2-bis-(trichlorosilyl)acetylene
E
- 13465-77-5
hexachlorodisilane
| Conditions | Yield |
|---|---|
| copper In neat (no solvent) reaction of Si with gaseous CCl4 (in N2) with Cu as catalyst at 110-410°C;; products and yield depend on temp.;; |
- 56-23-5
tetrachloromethane
- 7440-21-3
silicon
A
- 10026-04-7, 53609-55-5
tetrachlorosilane
B
- 13465-77-5
hexachlorodisilane
| Conditions | Yield |
|---|---|
| silver In neat (no solvent) byproducts: C2Cl4; heating of Si and CCl4 vapor at 80-300 °C;; | |
| manganese In neat (no solvent) byproducts: C2Cl4; heating of Si and CCl4 vapor at 80-300 °C;; | |
| nickel In neat (no solvent) byproducts: C2Cl4; heating of Si and CCl4 vapor at 80-300 °C;; |
- 10026-04-7, 53609-55-5
tetrachlorosilane
- 13465-77-5
hexachlorodisilane
| Conditions | Yield |
|---|---|
| In neat (no solvent) Electric Arc; reaction by a electric Zn light arc in N2 atmosphere;; | |
| In neat (no solvent) Electric Arc; reaction by influence of a Zn electric arc on SiCl4 in a N2 atmosphere;; | |
| In neat (no solvent) Electric Arc; reaction by influence of a Zn electric arc on SiCl4 in a N2 atmosphere;; | |
| In neat (no solvent) Electric Arc; reaction by a electric Zn light arc in N2 atmosphere;; |
| Conditions | Yield |
|---|---|
| In neat (no solvent) passing Cl2 over ferrosilicon with 35-65% Si, begin of a strongly exothermic reactn. at 200 °C, 350 °C (yields of SiCl4: 80%), up to 600 °C (yields of SiCl4: 94%), formation of Si2Cl6 < 450 °C (3-10% of the amt. of SiCl4);; |
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Specification
The Hexachlorodisilane , with cas registry number of 13465-77-5, is a kind of categories in (1) Si (Classes of Silicon Compounds) ; (2) Si-Cl Compounds;Si-Si Compounds ; (3) Trichlorosilanes ; (4) Self Assembly&Contact Printing ; (5) Self-Assembly Materials ; (6) Silane Coupling Agents/Adhesion Promoters ; (7) SilanesSelf Assembly&Contact Printing. Its IUPAC name is trichloro(trichlorosilyl)silane . And its systematic name is called hexachlorodisilane . This compound is stable, but reacts violently with water. It is incompatible with water, moisture, acids, strong bases, oxidizing agents, alcohols. It is sensitive to moisture.
Physical properties of Hexachlorodisilane are: (1) ACD/LogP: 8.55 ; (2) # of Rule of 5 Violations: 1 ; (3) ACD/LogD (pH 5.5): 8.55 ; (4) ACD/LogD (pH 7.4): 8.55 ; (5) ACD/BCF (pH 5.5): 1000000 ; (6) ACD/BCF (pH 7.4): 1000000 ; (7) #H bond acceptors: 0 ; (8) #H bond donors: 0 ; (9) #Freely Rotating Bonds: 1 ; (10) Index of Refraction: 1.488 ; (11) Molar Refractivity: 48.57 cm3 ; (12) Molar Volume: 168.3 cm3 ; (13) Surface Tension: 26.2 dyne/cm ; (14) Enthalpy of Vaporization: 36.58 kJ/mol ; (15) Vapour Pressure: 6.39 mmHg at 25°C ; (16) Refractive index: n20/D 1.475(lit.)
Preparation of Hexachlorodisilane : Condensing the exhaust gas from the furnace for producing polysilicon by chlorosilane and hydrogen in order to separate out the hydrogen. The condensate will be distillated to separate out the unreacted chlorosilane and silicon tetrachloride (by-product), and then we distill it to recycle the hexachlorodisilane . Tetrachlorodisilane can be also recycled at the same time. The purity of the recycled hexachlorodisilane and tetrachlorodisilane will be much high than the production made of the silicon metal.
When you are using this chemical, please be cautious about it as the following:
The Hexachlorodisilane reacts violently with water and causes burns. Wear suitable protective clothing, gloves and eye/face protection before use it. If contact with eyes, rinse immediately with plenty of water and seek medical advice. If you feel unwell, seek medical advice immediately. When heated to decomposition or on contact with water, it emits toxic fumes of HCl and Cl-. It should be stored at temperature of below 5° C.
You can still convert the following datas into molecular structure:
(1) SMILES:Cl[Si](Cl)(Cl)[Si](Cl)(Cl)Cl ;
(2) InChI:InChI=1/Cl6Si2/c1-7(2,3)8(4,5)6 ;
(3) InChIKey:LXEXBJXDGVGRAR-UHFFFAOYAZ