chempirical

2,4-Dibromo-1,3,5-trimethylbenzene

C9H10Br2CAS 6942-99-0277.99 g/mol

Open in Covalent MOL file
BrBr
Aryl halide

Properties

Molecular formula
C9H10Br2
Molar mass
277.99 g/mol
Exact mass
275.9149 Da
Melting point
65.5 °C
Boiling point
285 °C
logP
4.14Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
6942-99-0
SMILES
Cc1cc(C)c(Br)c(C)c1Br
InChIKey
CIHJFEWFZJQTFE-UHFFFAOYSA-N
InChI
InChI=1S/C9H10Br2/c1-5-4-6(2)9(11)7(3)8(5)10/h4H,1-3H3

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Names and synonyms

5 names
  • Benzene, 2,4-dibromo-1,3,5-trimethyl-
  • Mesitylene, 2,4-dibromo-
  • 2,4-Dibromomesitylene
  • NSC 51629
  • 1,3-Dibromo-2,4,6-trimethylbenzene

Work with 2,4-Dibromo-1,3,5-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Bromo-1,2,4,5-tetramethylbenzene1646-53-370 % similar 2,3,5,6-Tetrabromo-P-xylene23488-38-256 % similar 1,3,5-Tribromo-2,4,6-trimethylbenzene608-72-056 % similar Pentabromotoluene87-83-253 % similar 2-Bromo-5-fluoro-1,3-dimethylbenzene14659-58-650 % similar 2-Bromo-1,3-dimethylbenzene576-22-750 % similar Pentamethylbenzene700-12-950 % similar 4-Bromo-3,5-dimethylphenol7463-51-650 % similar

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

Elsewhere

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