chempirical

2,5-Dibromotoluene

C7H6Br2CAS 615-59-8249.93 g/mol

Open in Covalent MOL file
BrBr
Aryl halide

Properties

Molecular formula
C7H6Br2
Molar mass
249.93 g/mol
Exact mass
247.8836 Da
Density
1.8154 g/mL (at 25 °C)
Melting point
5.6 °C
Boiling point
236 °C
logP
3.52Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
615-59-8
SMILES
Cc1cc(Br)ccc1Br
InChIKey
QKEZTJYRBHOKHH-UHFFFAOYSA-N
InChI
InChI=1S/C7H6Br2/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3

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Names and synonyms

6 names
  • Benzene, 1,4-dibromo-2-methyl-
  • Toluene, 2,5-dibromo-
  • 1,4-Dibromo-2-methylbenzene
  • NSC 6222
  • 3,6-Dibromotoluene
  • 1,4-Dibromotoluene

Work with 2,5-Dibromotoluene

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

4-Bromo-3-methylphenol14472-14-162 % similar 1-Bromo-2,4-dimethylbenzene583-70-060 % similar 5-Bromo-2-iodotoluene116632-39-458 % similar 1,2,4-Tribromobenzene615-54-357 % similar 1-Bromo-4-chloro-2-methylbenzene14495-51-356 % similar 4-Bromo-2-methylphenol2362-12-156 % similar 2-Bromo-5-fluorotoluene452-63-156 % similar 4-Bromo-1-fluoro-2-methylbenzene51437-00-456 % similar

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

Same formula

3,5-Dibromotoluene1611-92-3 2,4-Dibromo-1-methylbenzene31543-75-6 2-Bromobenzyl bromide3433-80-5 4-Bromobenzyl bromide589-15-1 1,2-Dibromo-4-methylbenzene60956-23-2 3-Bromobenzyl bromide823-78-9

Elsewhere

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