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13465-77-5 molecular structure
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hexachlorodisilane

ChemBase ID: 149351
Molecular Formular: Cl6Si2
Molecular Mass: 268.889
Monoisotopic Mass: 265.76696914
SMILES and InChIs

SMILES:
[Si]([Si](Cl)(Cl)Cl)(Cl)(Cl)Cl
Canonical SMILES:
Cl[Si]([Si](Cl)(Cl)Cl)(Cl)Cl
InChI:
InChI=1S/Cl6Si2/c1-7(2,3)8(4,5)6
InChIKey:
LXEXBJXDGVGRAR-UHFFFAOYSA-N

Cite this record

CBID:149351 http://www.chembase.cn/molecule-149351.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
hexachlorodisilane
IUPAC Traditional name
hexachlorodisilane
Synonyms
1,1,1,2,2,2-Hexachlorodisilane
Disilicon hexachloride
HCDS
Hexachlorodisilane
六氯乙硅烷
CAS Number
13465-77-5
EC Number
236-704-1
MDL Number
MFCD00011599
PubChem SID
162243518
24852311
PubChem CID
83497

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 83497 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.895  LogD (pH = 7.4) 2.895 
Log P 2.895  Molar Refractivity 36.8178 cm3
Polarizability 18.31149 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
144-145.5 °C(lit.) expand Show data source
Density
1.562 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.475(lit.) expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
2987 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
14-34 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H314 expand Show data source
GHS Precautionary statements
P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 2987 8/PG 2 expand Show data source
Supplemental Hazard Statements
Reacts violently with water. expand Show data source
Purity
≥98.0% (NMR) expand Show data source
96% expand Show data source
Grade
purum expand Show data source
Linear Formula
(SiCl3)2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 205184 external link
General description
Precursor to substituted disilanes. Remainder mainly pentachlorodisilane.
Packaging
5, 25 g in ampule
Sigma Aldrich - 52154 external link
Other Notes
Reagent used for the deoxygenation of phosphine oxides and for other deoxygenation reactions1,2

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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