Zirconium(IV) t-butoxide

C₁₆H₄₀O₄ZrCAS 2081-12-1387.72 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₆H₄₀O₄Zr
Molar mass: 387.72 g/mol
Exact mass: 386.1974 Da
logP: 3.11Crippen estimate
Polar surface area: 80.9 Å²
H-bond donors / acceptors: 4 / 4
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation90.9% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

2081-12-1

SMILES

CC(C)(C)O.CC(C)(C)O.CC(C)(C)O.CC(C)(C)O.[Zr]

InChIKey

WRMYASGYMABHCC-UHFFFAOYSA-N

InChI

InChI=1S/4C4H10O.Zr/c4*1-4(2,3)5;/h4*5H,1-3H3;

Weigh it out

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Names and synonyms

1 name

Zirconium(IV) tert-butoxide

Work with Zirconium(IV) t-butoxide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

tert-Butyl alcohol75-65-075 % similar tert-Butyl titanate3087-39-660 % similar Pinacol76-09-531 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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