4-Bromo-2-chlorotoluene

C7H6BrClCAS 89794-02-5205.48 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
logP
3.41Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 49 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
89794-02-5
SMILES
CC1=C(C=C(C=C1)Br)Cl
InChIKey
LIFMTDJMLRECMX-UHFFFAOYSA-N
InChI
InChI=1S/C7H6BrCl/c1-5-2-3-6(8)4-7(5)9/h2-4H,1H3

Weigh it out

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Work with 4-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Bromo-1,2-dichlorobenzene18282-59-260 % similar 4-Bromo-o-xylene583-71-160 % similar Chloro-p-xylene95-72-758 % similar 4-Bromo-2-chloro-1-iodobenzene31928-47-957 % similar 3-Chloro-4-methylphenol615-62-357 % similar 2,4-Dibromo-1-methylbenzene31543-75-656 % similar 1,4-Dibromo-2-chlorobenzene3460-24-056 % similar 2,4-Dichlorotoluene95-73-856 % 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 2-Bromobenzyl chloride578-51-8 4-Bromobenzyl chloride589-17-3 2-Chlorobenzyl bromide611-17-6 4-Chlorobenzyl bromide622-95-7

Elsewhere

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