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CAS 18267-08-8 ZIRCONIUM(IV) ETHOXIDE molecular structure lightbox
CAS RN: 18267-08-8

ZIRCONIUM(IV) ETHOXIDE

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  • Product code: starshine_CAS18267-08-8
  • Purity/Analytical Methods: >99.0%
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18267-08-8 / ethanol;zirconium

Standard CAS: 18267-08-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
18267-08-8
Multi CAS
No
Molecular Formula
C8H24O4Zr
Molecular Weight
275.500000
Exact Mass
274.072158
SMILES
CCO.CCO.CCO.CCO.[Zr]
InChI
InChI=1S/4C2H6O.Zr/c4*1-2-3;/h4*3H,2H2,1H3;
InChIKey
UARGAUQGVANXCB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
1
H-bond acceptors
4
H-bond donors
4
Molar refractivity
51.04
TPSA
80.92

LogP / Solubility

WLOGP
-0.01
XLogP3
-0.01
Consensus LogP
-0.01
Log S (ESOL)
-1.54
Class (ESOL)
Soluble
Log S (Ali)
-1.81
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.44
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
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)
-4.41

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Flammable Irritant
Signal
Danger
GHS Hazard Statements
H228 (97.8%): Flammable solid [Danger Flammable solids] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P210, P240, P241, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, and P501

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