3-Chlorophenylmagnesium bromide

C₆H₄BrClMgCAS 36229-42-2215.76 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₄BrClMg
Molar mass: 215.76 g/mol
Exact mass: 213.9035 Da
logP: -1.24Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
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

36229-42-2

SMILES

C1=C[C-]=CC(=C1)Cl.[Mg+2].[Br-]

InChIKey

ZMPYQGQHGLLBQI-UHFFFAOYSA-M

InChI

InChI=1S/C6H4Cl.BrH.Mg/c7-6-4-2-1-3-5-6;;/h1-2,4-5H;1H;/q-1;;+2/p-1

Weigh it out

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

Work with 3-Chlorophenylmagnesium bromide

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

M-Tolylmagnesium bromide28987-79-355 % similar 3-Methoxyphenylmagnesium bromide36282-40-350 % similar Chlorobenzene108-90-733 % similar 1,3-Dichlorobenzene541-73-133 % similar 3,3'-Dichloro diphenyl disulfide19742-92-831 % similar

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

Same formula

(4-Chlorophenyl)magnesium bromide873-77-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook