chempirical

Butylmagnesium chloride

C4H9ClMgCAS 693-04-9116.87 g/mol

Open in Covalent MOL file
Cl−Mg+

Properties

Molecular formula
C4H9ClMg
Molar mass
116.87 g/mol
Exact mass
116.0243 Da
Melting point
210 °C (decomposes)
Boiling point
132–134 °C (at 1 Torr)
logP
-1.76Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Identifiers

CAS number
693-04-9
SMILES
[CH2]CCC.[Cl-].[Mg+]
InChIKey
UUNGXYVLXYGZKH-UHFFFAOYSA-M
InChI
InChI=1S/C4H9.ClH.Mg/c1-3-4-2;;/h1,3-4H2,2H3;1H;/q;;+1/p-1

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Names and synonyms

4 names
  • Magnesium, butylchloro-
  • Butylchloromagnesium
  • n-Butylmagnesium chloride
  • Butylmagnesiumm chloride

Work with Butylmagnesium chloride

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

Dibutyltin dichloride683-18-178 % similar Tributyltin chloride1461-22-968 % similar Butyltin chloride dihydroxide13355-96-959 % similar Propylmagnesium chloride2234-82-455 % similar Dioctyltin dichloride3542-36-754 % similar n-Butyllithium109-72-853 % similar Tetrabutyltin1461-25-253 % similar Tributyltin hydride688-73-353 % similar

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

Same formula

sec-Butylmagnesium chloride15366-08-2 tert-Butylmagnesium chloride677-22-5

Elsewhere

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