chempirical

2,5-Dibromo-P-xylene

C8H8Br2CAS 1074-24-4263.96 g/mol

Open in Covalent MOL file
BrBr
Aryl halide

Properties

Molecular formula
C8H8Br2
Molar mass
263.96 g/mol
Exact mass
261.8993 Da
Melting point
73.5–74 °C
logP
3.83Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
1074-24-4
SMILES
Cc1cc(Br)c(C)cc1Br
InChIKey
QENIALCDPFDFHX-UHFFFAOYSA-N
InChI
InChI=1S/C8H8Br2/c1-5-3-8(10)6(2)4-7(5)9/h3-4H,1-2H3

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Names and synonyms

7 names
  • Benzene, 1,4-dibromo-2,5-dimethyl-
  • p-Xylene, 2,5-dibromo-
  • 1,4-Dibromo-2,5-dimethylbenzene
  • 2,5-Dimethyl-1,4-dibromobenzene
  • 2,5-Dibromo-1,4-dimethylbenzene
  • 2,5-Dibromo-1,4-xylene
  • NSC 106321

Work with 2,5-Dibromo-P-xylene

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-2,4,5-trimethylbenzene5469-19-288 % similar 1-Bromo-4,5-difluoro-2-methylbenzene875664-38-362 % similar 2,4-Dibromo-1-methylbenzene31543-75-655 % similar Bromo-P-xylene553-94-655 % similar 1-Bromo-2,4-dimethylbenzene583-70-055 % similar 2,5-Dibromotoluene615-59-855 % similar 2-Bromo-4-fluorotoluene1422-53-350 % similar 4-Bromo-3-methylphenol14472-14-150 % similar

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

Same formula

1,5-Dibromo-2,4-dimethylbenzene615-87-2 1,4-Bis(bromomethyl)benzene623-24-5 1,3-Bis(bromomethyl)benzene626-15-3 Xylylene dibromide91-13-4 (1,2-Dibromoethyl)benzene93-52-7

Elsewhere

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