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CAS 12039-90-6 Zirconium silicide molecular structure lightbox
CAS RN: 12039-90-6

Zirconium silicide

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3 package records2 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250630 100g / 500g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250306 100g Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250402 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: starshine_CAS12039-90-6
  • Purity/Analytical Methods: >99.0%
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12039-90-6 / Zirconium silicide

Zirconium silicide (ZrSi2) | EINECS 234-911-1 | RefChem:196144

Standard CAS: 12039-90-6 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
12039-90-6
Multi CAS
Yes
Molecular Formula
Si2Zr
Molecular Weight
147.390000
Exact Mass
145.858552
SMILES
[Si]=[Zr]=[Si]
InChI
InChI=1S/2Si.Zr
InChIKey
GJIKIPCNQLUSQC-UHFFFAOYSA-N
Synonyms
Zirconium silicide (ZrSi2) EINECS 234-911-1 RefChem:196144 DTXCID901436849 DTXSID301014259

Physical Properties

Physical Description
Grey odorless powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
3
Molar refractivity
11.51
TPSA
0.0000

LogP / Solubility

WLOGP
-0.76
MLOGP
-0.68
XLogP3
-0.76
Consensus LogP
-0.73
Log S (ESOL)
-0.27
Class (ESOL)
Very soluble
Log S (Ali)
-0.22
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.02
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
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)
-4.16

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 5 of 5 companies. For more detailed information, please visit ECHA C&L website. Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

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