chempirical

Tetrachlorobis(tetrahydrofuran)zirconium

C8H16Cl4O2ZrCAS 21959-01-3377.24 g/mol

Open in Covalent MOL file
OOClZrClClCl
Ether

Properties

Molecular formula
C8H16Cl4O2Zr
Molar mass
377.24 g/mol
Exact mass
373.8951 Da
logP
4.35Crippen estimate
Polar surface area
18.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
21959-01-3
SMILES
C1CCOC1.C1CCOC1.Cl[Zr](Cl)(Cl)Cl
InChIKey
VDJJKYYENYIHFF-UHFFFAOYSA-J
InChI
InChI=1S/2C4H8O.4ClH.Zr/c2*1-2-4-5-3-1;;;;;/h2*1-4H2;4*1H;/q;;;;;;+4/p-4

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Names and synonyms

1 names
  • Zirconium(IV) chloride tetrahydrofuran complex

Work with Tetrachlorobis(tetrahydrofuran)zirconium

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Tetrahydrofuran109-99-9Parent compound Deuterated thf1693-74-9Parent compound, labelled

Similar compounds

Tetrahydropyran142-68-753 % similar 1,1′-Oxybis[4-chlorobutane]6334-96-947 % similar Oxetane503-30-047 % similar Tetrachlorobis(tetrahydrofuran)titanium31011-57-140 % similar Pentyl ether693-65-240 % similar 4,9-Dioxa-1,12-dodecanediamine7300-34-740 % similar Dihexyl ether112-58-338 % similar Octyl ether629-82-338 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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