chempirical

5-Bromo-2-chlorotoluene

C7H6BrClCAS 54932-72-8205.48 g/mol

Open in Covalent MOL file
BrCl
Aryl halide

Properties

Molecular formula
C7H6BrCl
Molar mass
205.48 g/mol
Exact mass
203.9341 Da
Boiling point
90–93 °C
logP
3.41Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
54932-72-8
SMILES
Cc1cc(Br)ccc1Cl
InChIKey
OZFQMHJKAODEON-UHFFFAOYSA-N
InChI
InChI=1S/C7H6BrCl/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3

Weigh it out

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

Names and synonyms

6 names
  • Benzene, 4-bromo-1-chloro-2-methyl-
  • Toluene, 5-bromo-2-chloro-
  • 4-Bromo-1-chloro-2-methylbenzene
  • 4-Chloro-3-methylbromobenzene
  • 2-Chloro-5-bromotoluene
  • 5-Bromo-2-chloro-1-methylbenzene

Work with 5-Bromo-2-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Bromo-1,2-dichlorobenzene18282-59-260 % similar P-Chlorocresol59-50-757 % similar 5-Bromo-2-chloroanisole16817-43-957 % similar 2,5-Dichlorotoluene19398-61-956 % similar 2,5-Dibromotoluene615-59-856 % similar 5-Bromo-2-iodotoluene116632-39-454 % similar 1-Chloro-4-iodo-2-methylbenzene116632-41-854 % similar 4-Bromo-2-methylanisole14804-31-053 % 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 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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