chempirical

Nysted reagent

C6H12Br2OZn3CAS 41114-59-4456.11 g/mol

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Salt ratio not recorded. The source lists this compound as the parent acid and the metal without saying how many of each, so the formula and molar mass are for one of each. Check the formula on the supplier's label before you weigh it.
OBr−Br−CH2−CH2−Zn2+Zn2+Zn
Ether

Properties

Molecular formula
C6H12Br2OZn3
Molar mass
456.11 g/mol
Exact mass
449.7129 Da
logP
-4.55Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
41114-59-4
SMILES
C1CCOC1.[Br-].[Br-].[CH2-].[CH2-].[Zn+2].[Zn+2].[Zn]
InChIKey
OMFJDXFZAFXBRL-UHFFFAOYSA-L
InChI
InChI=1S/C4H8O.2CH2.2BrH.3Zn/c1-2-4-5-3-1;;;;;;;/h1-4H2;2*1H2;2*1H;;;/q;2*-1;;;;2*+2/p-2

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Type any one amount. The others follow from the molar mass.

Names and synonyms

2 names
  • Zinc, dibromodi-μ-methylene[μ-(tetrahydrofuran)]tri-, cyclo
  • Nysted's reagent

Work with Nysted reagent

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

Tetrahydrofuran109-99-940 % similar Oxetane503-30-033 % similar Tetrachlorobis(tetrahydrofuran)titanium31011-57-131 % similar Pentyl ether693-65-231 % similar 4,9-Dioxa-1,12-dodecanediamine7300-34-731 % similar Zinc bromide7699-45-830 % similar

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

Elsewhere

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