4-Iodobenzyl bromide

C₇H₆BrICAS 16004-15-2296.93 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
Melting point: 84.5–85 °C
Boiling point: 200–205 °C (at 4 Torr)
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 damage97.5% of notifiers
H318 Causes serious eye damage38.3% of notifiers

Aggregated from 81 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

16004-15-2

SMILES

BrCc1ccc(I)cc1

InChIKey

BQTRMYJYYNQQGK-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

5 names

Benzene, 1-(bromomethyl)-4-iodo-
Toluene, α-bromo-p-iodo-
1-(Bromomethyl)-4-iodobenzene
p-Iodobenzyl bromide
α-Bromo-p-iodotoluene

Work with 4-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

1,4-Bis(bromomethyl)benzene623-24-567 % similar 4-Bromobenzyl bromide589-15-152 % similar Benzyl bromide100-39-050 % similar 4-Methylbenzyl bromide104-81-450 % similar 4-Iodobenzyl alcohol18282-51-450 % similar 1-Ethyl-4-iodobenzene25309-64-250 % similar 4-Iodobenzylamine39959-59-650 % similar 1,3,5-Tris[4-(bromomethyl)phenyl]benzene42837-44-550 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Bromo-2-iodotoluene116632-39-4 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

PubChem CAS Common Chemistry NIST WebBook