chempirical

2-Bromo-4-chloro-1-methylbenzene

C7H6BrClCAS 27139-97-5205.48 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
Boiling point
80–100 °C (at 2 Torr)
logP
3.41Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
27139-97-5
SMILES
Cc1ccc(Cl)cc1Br
InChIKey
CSUUXPHPCXHYGY-UHFFFAOYSA-N
InChI
InChI=1S/C7H6BrCl/c1-5-2-3-6(9)4-7(5)8/h2-4H,1H3

Weigh it out

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

Names and synonyms

3 names
  • Benzene, 2-bromo-4-chloro-1-methyl-
  • Toluene, 2-bromo-4-chloro-
  • 2-Bromo-4-chlorotoluene

Work with 2-Bromo-4-chloro-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

4-Chloro-1,2-dimethylbenzene615-60-160 % similar 2-Bromo-4-chloro-1-iodobenzene31928-44-657 % similar 2-Bromo-1,4-dichlorobenzene1435-50-356 % similar 2,4-Dibromo-1-methylbenzene31543-75-656 % similar Bromo-P-xylene553-94-656 % similar 2,4-Dichlorotoluene95-73-856 % similar 2-Bromo-4-fluorotoluene1422-53-352 % similar 2-Bromo-4-chloro-1-fluorobenzene1996-30-152 % similar

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

Same formula

1-Bromo-4-chloro-2-methylbenzene14495-51-3 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 2-Bromo-6-chlorotoluene62356-27-8 3-Chlorobenzyl bromide766-80-3

Elsewhere

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