chempirical

1,4-Dibromo-2,3,5,6-tetramethylbenzene

C10H12Br2CAS 1646-54-4292.01 g/mol

Open in Covalent MOL file
BrBr
Aryl halide

Properties

Molecular formula
C10H12Br2
Molar mass
292.01 g/mol
Exact mass
289.9306 Da
Melting point
199–200 °C
logP
4.45Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
1646-54-4
SMILES
Cc1c(C)c(Br)c(C)c(C)c1Br
InChIKey
IEWAQZBDJDWANM-UHFFFAOYSA-N
InChI
InChI=1S/C10H12Br2/c1-5-6(2)10(12)8(4)7(3)9(5)11/h1-4H3

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Names and synonyms

6 names
  • Benzene, 1,4-dibromo-2,3,5,6-tetramethyl-
  • 1,4-Dibromotetramethylbenzene
  • Dibromodurene
  • 3,6-Dibromodurene
  • 3,6-Dibromo-1,2,4,5-tetramethylbenzene
  • NSC 87886

Work with 1,4-Dibromo-2,3,5,6-tetramethylbenzene

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-Bromo-2,3,4,5,6-pentamethylbenzene5153-40-292 % similar 1,3,5-Tribromo-2,4,6-trimethylbenzene608-72-083 % similar 2,3,5,6-Tetrabromo-P-xylene23488-38-269 % similar Pentabromotoluene87-83-264 % similar 3-Bromo-1,2,4,5-tetramethylbenzene1646-53-356 % similar 2,3,5,6-Tetrabromo-4-methylphenol37721-75-847 % similar 2,4-Dibromo-1,3,5-trimethylbenzene6942-99-047 % similar 3,4,5,6-Tetrabromo-O-cresol576-55-645 % similar

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

Same formula

1,3-Dibromo-5-tert-butylbenzene129316-09-2

Elsewhere

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