CAS RN: 13986-26-0
ZIRCONIUM IODIDE
Product Availability
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3 package records0 with current stock1 grade group
- Product code: starshine_CAS13986-26-0
- Purity/Analytical Methods: >99.0%
13986-26-0 / zirconium(4+) tetraiodide
Basic Information
CAS
13986-26-0
Multi CAS
No
Molecular Formula
I4Zr
Molecular Weight
598.840000
Exact Mass
597.522600
SMILES
[Zr+4].[I-].[I-].[I-].[I-]
InChI
InChI=1S/4HI.Zr/h4*1H;/q;;;;+4/p-4
InChIKey
XLMQAUWIRARSJG-UHFFFAOYSA-J
Physical Properties
Physical Description
Orange solid; Fumes in air; [Merck Index] Yellow or orange powder
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
5
H-bond acceptors
4
TPSA
0.0000
LogP / Solubility
WLOGP
-11.99
MLOGP
-10.5
XLogP3
-11.99
Consensus LogP
-11.49
Log S (ESOL)
4
Class (ESOL)
Highly soluble
Log S (Ali)
4.18
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
6.4
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-14.88
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
Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
H318 (88.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501
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