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CAS 13465-77-5 Hexachlorodisilane molecular structure lightbox
CAS RN: 13465-77-5

Hexachlorodisilane

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  • Product code: ICTH1028
  • Purity/Analytical Methods: >98.0%(T)
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13465-77-5 / trichloro(trichlorosilyl)silane

Standard CAS: 13465-77-5 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
13465-77-5
Multi CAS
No
Molecular Formula
Cl6Si2
Molecular Weight
268.900000
Exact Mass
267.764019
SMILES
[Si]([Si](Cl)(Cl)Cl)(Cl)(Cl)Cl
InChI
InChI=1S/Cl6Si2/c1-7(2,3)8(4,5)6
InChIKey
LXEXBJXDGVGRAR-UHFFFAOYSA-N

Physical Properties

Physical Description
Liquid Clear to straw-colored liquid with an acrid odor of hydrogen chloride
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
8
Rotatable bonds
1
Molar refractivity
46.63
TPSA
0.0000

LogP / Solubility

WLOGP
3.38
MLOGP
2.98
XLogP3
3.38
Consensus LogP
3.25
Log S (ESOL)
-3.57
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.2
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.33
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.96

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Flammable Corrosive
Signal
Danger
GHS Hazard Statements
H225 (18.4%): Highly Flammable liquid and vapor [Danger Flammable liquids] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501

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