2-Bromodibenzofuran

C₁₂H₇BrOCAS 86-76-0247.09 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₇BrO
Molar mass: 247.09 g/mol
Exact mass: 245.9680 Da
Melting point: 110 °C
logP: 4.35Crippen estimate
Polar surface area: 13.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed97.6% of notifiers
H319 Causes serious eye irritation100% of notifiers
H413 May cause long lasting harmful effects to aquatic life95.1% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

86-76-0

SMILES

Brc1ccc2oc3ccccc3c2c1

InChIKey

CRJISNQTZDMKQD-UHFFFAOYSA-N

InChI

InChI=1S/C12H7BrO/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-7H

Weigh it out

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

Names and synonyms

3 names

Dibenzofuran, 2-bromo-
NSC 1735
2-Bromodibenzo[b,d]furan

Work with 2-Bromodibenzofuran

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

2,8-Dibromodibenzofuran10016-52-179 % similar 2-Bromobenzo(b)naphtho(2,3-d)furan1627917-16-170 % similar 8-Bromo-1-chlorodibenzo[B,D]furan2225909-61-361 % similar 2-Dibenzofuranol86-77-160 % similar 3-Bromonaphtho[2,3-b]benzofuran1256544-32-759 % similar Dibenzofuran132-64-958 % similar 2-Bromobenzo[9,10]phenanthrene19111-87-656 % similar 2,7-Dibromotriphenylene888041-37-056 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Bromodibenzofuran26608-06-0 1-Bromodibenzofuran50548-45-3 4-Bromodibenzo[b,d]furan89827-45-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook