chempirical

3,3',5,5'-Tetrabromobiphenyl

C12H6Br4CAS 16400-50-3469.80 g/mol

Open in Covalent MOL file
BrBrBrBr
Aryl halide

Properties

Molecular formula
C12H6Br4
Molar mass
469.80 g/mol
Exact mass
465.7203 Da
logP
6.40Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

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
16400-50-3
SMILES
C1=C(C=C(C=C1Br)Br)C2=CC(=CC(=C2)Br)Br
InChIKey
FXJXZYWFJAXIJX-UHFFFAOYSA-N
InChI
InChI=1S/C12H6Br4/c13-9-1-7(2-10(14)5-9)8-3-11(15)6-12(16)4-8/h1-6H

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Work with 3,3',5,5'-Tetrabromobiphenyl

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

1,3,5-Tribromobenzene626-39-175 % similar 3,5-Dibromobiphenyl16372-96-667 % similar 1-Bromo-3,5-diphenylbenzene103068-20-858 % similar 1,3-Dibromo-5-fluorobenzene1435-51-450 % similar 1,3-Dibromo-5-chlorobenzene14862-52-350 % similar 3,5-Dibromotoluene1611-92-350 % similar 1,3-Dibromo-5-iodobenzene19752-57-950 % similar 3,5-Dibromoaniline626-40-450 % similar

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

Elsewhere

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