chempirical

2-Bromo-6-chlorotoluene

C7H6BrClCAS 62356-27-8205.48 g/mol

Open in Covalent MOL file
ClBr
Aryl halide

Properties

Molecular formula
C7H6BrCl
Molar mass
205.48 g/mol
Exact mass
203.9341 Da
Density
1.572 g/mL (at 25 °C)
Boiling point
60 °C (at 3 Torr)
logP
3.41Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
62356-27-8
SMILES
Cc1c(Cl)cccc1Br
InChIKey
DMARBQGIQKLIPM-UHFFFAOYSA-N
InChI
InChI=1S/C7H6BrCl/c1-5-6(8)3-2-4-7(5)9/h2-4H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

4 names
  • Benzene, 1-bromo-3-chloro-2-methyl-
  • Toluene, 2-bromo-6-chloro-
  • 1-Bromo-3-chloro-2-methylbenzene
  • 2-Chloro-6-bromotoluene

Work with 2-Bromo-6-chlorotoluene

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

2,6-Dichlorotoluene118-69-467 % similar 1-Bromo-2,3-dimethylbenzene576-23-856 % similar 1-Chloro-2,3-dimethylbenzene608-23-156 % similar 3-Bromo-2-methylaniline55289-36-654 % similar 3-Chloro-2-methylaniline87-60-554 % similar 1-Bromo-2,3-dichlorobenzene56961-77-452 % similar 1-Bromo-3-fluoro-2-methylbenzene1422-54-452 % similar 3-Chloro-2-methylphenol3260-87-552 % similar

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

Same formula

1-Bromo-4-chloro-2-methylbenzene14495-51-3 2-Bromo-4-chloro-1-methylbenzene27139-97-5 5-Bromo-2-chlorotoluene54932-72-8 2-Bromo-1-chloro-4-methylbenzene57310-39-1 4-Bromobenzyl chloride589-17-3 2-Chlorobenzyl bromide611-17-6 4-Chlorobenzyl bromide622-95-7 3-Chlorobenzyl bromide766-80-3

Elsewhere

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