3,6-Dibromophenanthrene-9,10-quinone

C₁₄H₆Br₂O₂CAS 53348-05-3366.01 g/mol

Open in Covalent MOL file

Aryl halide Ketone

Properties

Molecular formula: C₁₄H₆Br₂O₂
Molar mass: 366.01 g/mol
Exact mass: 363.8735 Da
Melting point: 286–287 °C
logP: 4.26Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H335 May cause respiratory irritation33.3% of notifiers
H400 Very toxic to aquatic life33.3% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

53348-05-3

SMILES

O=C1C(=O)c2ccc(Br)cc2-c2cc(Br)ccc21

InChIKey

WPEJBJRFPBMVGJ-UHFFFAOYSA-N

InChI

InChI=1S/C14H6Br2O2/c15-7-1-3-9-11(5-7)12-6-8(16)2-4-10(12)14(18)13(9)17/h1-6H

Weigh it out

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

Names and synonyms

8 names

3,6-Dibromo-9,10-phenanthrenedione
9,10-Phenanthrenedione, 3,6-dibromo-
Phenanthrenequinone, 3,6-dibromo-
3,6-Dibromo-9,10-phenanthrenequinone
NSC 87364
3,6-Dibromophenanthrene-9,10-dione
3,6-Dibromophenanthraquinone
3,6-Dibromo-9,10-dihydrophenanthrene-9,10-dione

Work with 3,6-Dibromophenanthrene-9,10-quinone

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

3-Bromophenanthrene-9,10-dione13292-05-281 % similar 3-Bromo-9H-fluoren-9-one2041-19-258 % similar 2,7-Dibromo-9-fluorenone14348-75-552 % similar 6-Bromoisatin6326-79-052 % similar 2-Bromoanthraquinone572-83-848 % similar 4-Bromophthalimide6941-75-948 % similar 4-Bromophthalic acid6968-28-148 % similar 4-Bromophthalic anhydride86-90-848 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2,6-Dibromoanthraquinone633-70-5 2,7-Dibromo-9,10-phenanthrenedione84405-44-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook