1-Bromo-4-iodonaphthalene

C10H6BrICAS 63279-58-3332.97 g/mol

Open in Covalent MOL file
IBr
Aryl halide

Properties

Molecular formula
C10H6BrI
Molar mass
332.97 g/mol
Exact mass
331.8698 Da
logP
4.21Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 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
63279-58-3
SMILES
C1=CC=C2C(=C1)C(=CC=C2I)Br
InChIKey
HQHHKYXPFKHLBF-UHFFFAOYSA-N
InChI
InChI=1S/C10H6BrI/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H

Weigh it out

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

Work with 1-Bromo-4-iodonaphthalene

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-Dibromonaphthalene83-53-467 % similar 1-Bromo-4-methylnaphthalene6627-78-756 % similar 1,5-Dibromonaphthalene7351-74-855 % similar 1-Bromo-2-iodobenzene583-55-154 % similar 1-Amino-4-bromonaphthalene2298-07-950 % similar 1-Bromo 4-fluoronaphthalene341-41-350 % similar 1-Bromo-4-chloronaphthalene53220-82-950 % similar 4-Bromonaphthalen-1-ol571-57-350 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Bromo-8-iodonaphthalene4044-58-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook