2-Bromo-1,3-dichloro-4-methylbenzene

C7H5BrCl2CAS 206559-41-3239.92 g/mol

Open in Covalent MOL file
ClBrCl
Aryl halide

Properties

Molecular formula
C7H5BrCl2
Molar mass
239.92 g/mol
Exact mass
237.8952 Da
logP
4.06Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
206559-41-3
SMILES
Cc1ccc(Cl)c(Br)c1Cl
InChIKey
DBWPADILUQENLH-UHFFFAOYSA-N
InChI
InChI=1S/C7H5BrCl2/c1-4-2-3-5(9)6(8)7(4)10/h2-3H,1H3

Weigh it out

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Names and synonyms

2 names
  • Benzene, 2-bromo-1,3-dichloro-4-methyl-
  • 3-Bromo-2,4-dichlorotoluene

Work with 2-Bromo-1,3-dichloro-4-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

2,6-Dichloro-3-methylaniline64063-37-253 % similar 2,3-Dichlorotoluene32768-54-050 % similar 2-Bromo-1,3-dichlorobenzene19393-92-146 % similar 2-Chloro-1,3-dimethylbenzene6781-98-246 % similar 5-Bromo-2-chlorotoluene54932-72-845 % similar 4-Bromo-2-chlorotoluene89794-02-545 % similar 2-Bromo-1,3-dimethylbenzene576-22-744 % similar 3-Chloro-2,6-dibromo-4-methylaniline84483-22-743 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,4-Dichlorobenzyl bromide18880-04-1 2,6-Dichlorobenzyl bromide20443-98-5 2,4-Dichlorobenzyl bromide20443-99-6 2,3-Dichlorobenzyl bromide57915-78-3 2,5-Dichlorobenzyl bromide85482-13-9 1-Bromo-2,3-dichloro-5-methylbenzene960305-14-0

Elsewhere

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