3-Iodobenzyl bromide

C₇H₆BrICAS 49617-83-6296.93 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

H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage81.6% of notifiers

Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, P501

Identifiers

CAS number

49617-83-6

SMILES

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

InChIKey

BACZSVQZBSCWIG-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 3-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

1,3-Bis(bromomethyl)benzene626-15-365 % similar (3-Iodophenyl)methanol57455-06-857 % similar 3-Iodobenzylamine696-40-257 % similar 3-Fluorobenzyl bromide456-41-754 % similar 3-Chlorobenzyl bromide766-80-354 % similar 3-Bromobenzyl bromide823-78-954 % similar 1,3-Diiodobenzene626-00-652 % similar 3-(Bromomethyl)biphenyl14704-31-552 % 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-Bromo-4-iodotoluene71838-16-9

Elsewhere

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