chempirical

3-Bromo-4-iodotoluene

C7H6BrICAS 71838-16-9296.93 g/mol

Open in Covalent MOL file
IBr
Aryl halide

Properties

Molecular formula
C7H6BrI
Molar mass
296.93 g/mol
Exact mass
295.8698 Da
logP
3.36Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
71838-16-9
SMILES
CC1=CC(=C(C=C1)I)Br
InChIKey
PLAKKSAFIZVHJP-UHFFFAOYSA-N
InChI
InChI=1S/C7H6BrI/c1-5-2-3-7(9)6(8)4-5/h2-4H,1H3

Weigh it out

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

Work with 3-Bromo-4-iodotoluene

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

Bromo-p-xylene553-94-662 % similar 1,2-Dibromo-4-methylbenzene60956-23-260 % similar 1-Iodo-2,4-dimethylbenzene4214-28-258 % similar 1-Bromo-2,4-dimethylbenzene583-70-056 % similar 2-Chloro-1-iodo-4-methylbenzene116632-42-954 % similar 2-Iodo-1,4-dimethylbenzene1122-42-552 % similar 3,5-Dibromo-4-iodotoluene175278-10-152 % similar 2-Iodo-5-methylbenzenamine13194-69-952 % similar

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

Same formula

5-Bromo-2-iodotoluene116632-39-4 4-Iodobenzyl bromide16004-15-2 2-Bromo-5-iodotoluene202865-85-8 2-Iodobenzyl bromide40400-13-3 3-Iodobenzyl bromide49617-83-6

Elsewhere

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