5-Bromo-2-iodotoluene

C₇H₆BrICAS 116632-39-4296.93 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

Warning

H315 Causes skin irritation95.9% of notifiers
H319 Causes serious eye irritation95.9% of notifiers
H335 May cause respiratory irritation93.9% of notifiers

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

116632-39-4

SMILES

CC1=C(C=CC(=C1)Br)I

InChIKey

GHTUADBHTFHMNI-UHFFFAOYSA-N

InChI

InChI=1S/C7H6BrI/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.

Work with 5-Bromo-2-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

4-Bromo-o-xylene583-71-163 % similar 2,5-Dibromotoluene615-59-858 % similar 1-Iodo-2,4-dimethylbenzene4214-28-254 % similar 4,4'-Dibromo-2,2'-diiodobiphenyl852138-89-754 % similar 4-Bromo-2-fluoro-1-iodobenzene105931-73-554 % similar 4-Bromo-2-methylphenol2362-12-154 % similar 4-Bromo-2-chloro-1-iodobenzene31928-47-954 % similar 4-Bromo-1-fluoro-2-methylbenzene51437-00-454 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

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 2-Bromo-6-iodotoluene97456-81-0

Elsewhere

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