chempirical

1,3,5-Tribromo-2,4,6-trimethylbenzene

C9H9Br3CAS 608-72-0356.88 g/mol

Open in Covalent MOL file
BrBrBr
Aryl halide

Properties

Molecular formula
C9H9Br3
Molar mass
356.88 g/mol
Exact mass
353.8254 Da
Melting point
222 °C
logP
4.90Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
608-72-0
SMILES
Cc1c(Br)c(C)c(Br)c(C)c1Br
InChIKey
LTSSSVHTLGQZAQ-UHFFFAOYSA-N
InChI
InChI=1S/C9H9Br3/c1-4-7(10)5(2)9(12)6(3)8(4)11/h1-3H3

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Names and synonyms

7 names
  • Benzene, 1,3,5-tribromo-2,4,6-trimethyl-
  • Mesitylene, 2,4,6-tribromo-
  • 2,4,6-Tribromomesitylene
  • Ar-Tribromomesitylene
  • 1,3,5-Tribromotrimethylbenzene
  • NSC 97124
  • 1,3,5-Trisbromomesitylene

Work with 1,3,5-Tribromo-2,4,6-trimethylbenzene

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

1,4-Dibromo-2,3,5,6-tetramethylbenzene1646-54-483 % similar 2,3,5,6-Tetrabromo-P-xylene23488-38-283 % similar 1-Bromo-2,3,4,5,6-pentamethylbenzene5153-40-277 % similar Pentabromotoluene87-83-277 % similar 3-Bromo-1,2,4,5-tetramethylbenzene1646-53-356 % similar 2,3,5,6-Tetrabromo-4-methylphenol37721-75-856 % similar 2,4-Dibromo-1,3,5-trimethylbenzene6942-99-056 % similar 3,4,5,6-Tetrabromo-O-cresol576-55-645 % similar

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

Elsewhere

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