2-Bromo-5-iodotoluene

C₇H₆BrICAS 202865-85-8296.93 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 irritation91.7% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation75% of notifiers

Aggregated from 12 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

202865-85-8

SMILES

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

InChIKey

QSQOGKONVJDRNH-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 2-Bromo-5-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

1-Iodo-3,4-dimethylbenzene31599-61-858 % similar 1-Bromo-2,4-dimethylbenzene583-70-058 % similar 2,5-Dibromotoluene615-59-858 % similar 4,4'-Diiodo-2,2'-dimethylbiphenyl69571-02-456 % similar 1-Bromo-2-fluoro-4-iodobenzene136434-77-054 % similar 4-Bromo-3-methylphenol14472-14-154 % similar 1-Bromo-4-chloro-2-methylbenzene14495-51-354 % similar 2-Bromo-5-fluorotoluene452-63-154 % 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-Iodobenzyl bromide40400-13-3 3-Iodobenzyl bromide49617-83-6 3-Bromo-4-iodotoluene71838-16-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook