2,8-Dibromodibenzofuran

C₁₂H₆Br₂OCAS 10016-52-1325.99 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₆Br₂O
Molar mass: 325.99 g/mol
Exact mass: 323.8785 Da
logP: 5.11Crippen estimate
Polar surface area: 13.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed97.5% of notifiers
H319 Causes serious eye irritation100% of notifiers
H413 May cause long lasting harmful effects to aquatic life100% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P273, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, P501

Identifiers

CAS number

10016-52-1

SMILES

C1=CC2=C(C=C1Br)C3=C(O2)C=CC(=C3)Br

InChIKey

UFCZRCPQBWIXTR-UHFFFAOYSA-N

InChI

InChI=1S/C12H6Br2O/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1-6H

Weigh it out

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

Work with 2,8-Dibromodibenzofuran

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

2-Bromodibenzofuran86-76-079 % similar 2-Bromobenzo(b)naphtho(2,3-d)furan1627917-16-170 % similar 8-Bromo-1-chlorodibenzo[B,D]furan2225909-61-360 % similar 3-Bromodibenzofuran26608-06-059 % similar 3-Bromonaphtho[2,3-b]benzofuran1256544-32-753 % similar 6-Bromo-4-hydroxycoumarin4139-61-153 % similar 6-Bromochromone51483-92-248 % similar 2-Bromobenzo[9,10]phenanthrene19111-87-648 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4,6-Dibromodibenzofuran201138-91-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook