chempirical

2,4-Dibromo-1-methylbenzene

C7H6Br2CAS 31543-75-6249.93 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
1.8176 g/mL (at 25 °C)
Melting point
−9.7 °C
Boiling point
103–104 °C (at 11 Torr)
logP
3.52Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
31543-75-6
SMILES
Cc1ccc(Br)cc1Br
InChIKey
GHWYNNFPUGEYEM-UHFFFAOYSA-N
InChI
InChI=1S/C7H6Br2/c1-5-2-3-6(8)4-7(5)9/h2-4H,1H3

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Names and synonyms

5 names
  • Benzene, 2,4-dibromo-1-methyl-
  • Toluene, 2,4-dibromo-
  • o,p-Dibromotoluene
  • 2,4-Dibromotoluene
  • NSC 139877

Work with 2,4-Dibromo-1-methylbenzene

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

1,2,4-Tribromobenzene615-54-357 % similar 2-Bromo-4-fluorotoluene1422-53-356 % similar 2-Bromo-4-chloro-1-methylbenzene27139-97-556 % similar 5-Bromo-2-methylbenzenamine39478-78-956 % similar 4-Bromo-2-fluorotoluene51436-99-856 % similar 3-Bromo-4-methylaniline7745-91-756 % similar 2,5-Dibromo-P-xylene1074-24-455 % similar 1,5-Dibromo-2,4-dimethylbenzene615-87-252 % similar

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

Same formula

3,5-Dibromotoluene1611-92-3 2-Bromobenzyl bromide3433-80-5 4-Bromobenzyl bromide589-15-1 1,2-Dibromo-4-methylbenzene60956-23-2 2,5-Dibromotoluene615-59-8 3-Bromobenzyl bromide823-78-9

Elsewhere

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