2-Bromo-6-iodotoluene

C₇H₆BrICAS 97456-81-0296.93 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₆BrI
Molar mass: 296.93 g/mol
Exact mass: 295.8698 Da
logP: 3.36Crippen estimate
Polar surface area: 0.0 Å²
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

97456-81-0

SMILES

CC1=C(C=CC=C1I)Br

InChIKey

DAHKMTOSYFBPOX-UHFFFAOYSA-N

InChI

InChI=1S/C7H6BrI/c1-5-6(8)3-2-4-7(5)9/h2-4H,1H3

Weigh it out

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

Names and synonyms

1 names

1-Bromo-3-iodo-2-methylbenzene

Work with 2-Bromo-6-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

2,6-Dibromotoluene69321-60-464 % similar 1-Iodo-2,3-dimethylbenzene31599-60-760 % similar 1-Bromo-2,3-dimethylbenzene576-23-860 % similar 2-Chloro-6-iodotoluene42048-11-356 % similar 1-Bromo-2-iodobenzene583-55-154 % similar 1-Fluoro-3-iodo-2-methylbenzene443-85-654 % similar 1,4-Dibromo-2,3-dimethylbenzene75024-22-552 % similar 3-Bromo-2-methylaniline55289-36-652 % 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 3-Bromo-4-iodotoluene71838-16-9

Elsewhere

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