2-Iodobenzyl bromide

C₇H₆BrICAS 40400-13-3296.93 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₇H₆BrI
Molar mass: 296.93 g/mol
Exact mass: 295.8698 Da
logP: 3.19Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed88.6% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled88.6% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P233, P260, P264, P270, P271, P280, P284, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P342+P316, P363, P403, P405, P501

Identifiers

CAS number

40400-13-3

SMILES

C1=CC=C(C(=C1)CBr)I

InChIKey

GQFITODJWOIYPF-UHFFFAOYSA-N

InChI

InChI=1S/C7H6BrI/c8-5-6-3-1-2-4-7(6)9/h1-4H,5H2

Weigh it out

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

Work with 2-Iodobenzyl bromide

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

Xylylene dibromide91-13-462 % similar 1-Ethyl-2-iodobenzene18282-40-154 % similar 2-Iodobenzyl alcohol5159-41-154 % similar 2-Iodobenzyl chloride59473-45-954 % similar 2-Methylbenzyl bromide89-92-954 % similar 2-Bromobenzyl bromide3433-80-552 % similar 2-Iodophenylacetonitrile40400-15-550 % similar 2-Fluorobenzyl bromide446-48-048 % 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 3-Iodobenzyl bromide49617-83-6 3-Bromo-4-iodotoluene71838-16-9

Elsewhere

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